Sulfobromophthalein sodium salt hydrate - Moligand™ CAS No(71-67-0) by Aladdin Scientific

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GRADE & PURITY Moligand™ ?

Synonyms

Hepartestabrome | Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-, disodium salt | HSDB 2183 | 5,5'-(4,5,6,7-Tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(2-hydroxybenzenesulfonic acid) disodium salt | Hepa

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

Overview

Sulfobromophthalein (BSP) is an organic dye used a for liver diagnostics in vitro. Reagent for the quantitative determination of proteins.

Specifications

Synonyms

Hepartestabrome | Benzenesulfonic acid, 3, 3'-(4, 5, 6, 7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-, disodium salt | HSDB 2183 | 5, 5'-(4, 5, 6, 7-Tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(2-hydroxybenzenesulfonic acid) disodium salt | Hepa

Specifications & Purity

Moligand™

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

OATP1A2;OATP1B3;OATP1C1;Inhibitor of OATP2A1;OATP2B1

Product Properties

pKa	pKₐ: -1.14 (Predicted)

Names and Identifiers

Canonical Smiles	[Na+].[Na+].[H]O[H].Oc1ccc(cc1S([O-])(=O)=O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O
IUPAC Name	disodium;2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
InChIKey	GHAFORRTMVIXHS-UHFFFAOYSA-L
INCHI	1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
Isomeric SMILES	C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
WGK Germany	3
RTECS	SM8395000
Alternate CAS	71-67-0,297-83-6 (Parent)；123359-42-2
MeSH Entry Terms	Bromosulfophthalein;Bromosulphthalein;Bromsulphalein;Bromthalein;Disodium, Sulfobromophthalein;Sodium, Sulfobromophthalein;Sulfobromophthalein;Sulfobromophthalein Disodium;Sulfobromophthalein Sodium;Tetrabromsulphthalein
Molecular Weight	838.00 (anhydrous basis)

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans
    - Subclass Benzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Benzofuranones
Alternative Parents	Phthalides Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxides Aryl bromides Vinylogous halides Sulfonyls Organosulfonic acids Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Organic metal halides Organooxygen compounds Hydrocarbon derivatives Organic sodium salts Organobromides Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonate - Phthalide - Benzofuranone - Isobenzofuranone - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Isocoumaran - Phenoxide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Lactone - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic metal halide - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors	organobromine compound - organic sodium salt - 2-benzofurans
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLCO2A1 Tchem Solute carrier organic anion transporter family member 2A1 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLCO1C1 Tbio Solute carrier organic anion transporter family member 1C1 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLCO1A2 Tchem Solute carrier organic anion transporter family member 1A2 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSTA1 Tchem Glutathione S-transferase A1 (120 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC10A2 Tclin Ileal bile acid transporter (415 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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SLCO1A2 Tchem Solute carrier organic anion transporter family member 1A2 (104 Activities)

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SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC22A7 Tbio Solute carrier family 22 member 7 (39 Activities)

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SLC22A11 Tclin Solute carrier family 22 member 11 (82 Activities)

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SLCO4A1 Tbio Solute carrier organic anion transporter family member 4A1 (14 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Pneumocystis carinii (749 Activities)

Lot Number	Certificate Type	Date	Item
G2517208	Certificate of Analysis	Feb 07, 2025	B332260
G2517209	Certificate of Analysis	Feb 07, 2025	B332260
G2517210	Certificate of Analysis	Feb 07, 2025	B332260
G2517217	Certificate of Analysis	Feb 07, 2025	B332260

Solubility	Soluble in water.
Sensitivity	Light & Moisture Sensitive
Molecular Weight	838.000 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	837.605 Da
Monoisotopic Mass	833.609 Da
Topological Polar Surface Area	198.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	994.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews