Brucine Sulfate Heptahydrate [for Nitrate Analysis] - 10mM in DMSO , CAS No.60583-39-3

CAS: 60583-39-3 Cat. No.: B425019 Peso molecular: 1013.12 Beilstein Registry Number: 27(2)802 Número EC: 629-252-5 PubChem CID: 16211665
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
Brucine sulfate heptahydrate|60583-39-3|Brucine sulphate|O900CDH328|4845-99-2|(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;h
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs,FedEx DG Service
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Size
Estado
Price
Qty
1ml
B425019-1ml
2
70,90US$
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs,FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Brucine sulfate heptahydrate | 60583-39-3 | Brucine sulphate | O900CDH328 | 4845-99-2 | (4aR, 5aS, 8aR, 13aS, 15aS, 15bR)-10, 11-dimethoxy-4a, 5, 5a, 7, 8, 13a, 15, 15a, 15b, 16-decahydro-2H-4, 6-methanoindolo[3, 2, 1-ij]oxepino[2, 3, 4-de]pyrrolo[2, 3-h]quinolin-14-one;sulfuric acid;h
Especificaciones y pureza
10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs, FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasCOC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
IUPAC Name(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate
InChIKeyPPJIVFYMRNHHTJ-JYGVWXPPSA-N
INCHI1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1
Isómeros SMILES COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
RTECS WL2103350
PubChem CID 16211665
Peso molecular 1013.12
Beilstein 27(2)802
Reaxy-Rn 3875567

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
ClaseStrychnos alkaloids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStrychnos alkaloids
Alternative Parents Carbazoles  Quinolidines  Indolizidines  Anisoles  Piperidinones  Delta lactams  Aralkylamines  Alkyl aryl ethers  Organic sulfuric acids  N-alkylpyrrolidines  Tertiary carboxylic acid amides  Trialkylamines  Amino acids and derivatives  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkNot available
Substituents Strychnan skeleton - Akuammicine-skeleton - Stemmadenine-skeleton - Carbazole - Quinolidine - Indolizidine - Indole or derivatives - Phenol ether - Anisole - Aralkylamine - Piperidinone - Sulfuric acid - Delta-lactam - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Piperidine - Tertiary carboxylic acid amide - Pyrrolidine - Organic sulfuric acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as strychnos alkaloids. These are alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Rotación específica [α]-26° (C=1,H2O)
Punto de fusión (°C)180 °C(dec.)
Peso molecular1013.100 g/mol
XLogP3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count4
Exact Mass1012.42 Da
Monoisotopic Mass1012.42 Da
Topological Polar Surface Area192.000 Ų
Heavy Atom Count70
Formal Charge0
Complexity866.000
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count10
Calculadoras de soluciones
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