Indatraline hydrochloride - ≥99%(HPLC) , CAS No.96850-13-4

CAS: 96850-13-4 Cat. No.: I287034 Molecular Weight: 328.67 EC Number: 635-556-9 PubChem CID: 10314472
AVAILABLE TO ORDER
GRADE & PURITY ≥99%(HPLC)
Synonyms
(1r,3s)-indatraline hydrochloride | CAS-96850-13-4 | MLS001423997 | NCGC00261369-01 | SR-01000075409-1 | (1R,3S)-rel-3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride | CCG-100795 | SMR000449273 | HY-110019 | Indatraline (hydrochl
Storage
Room temperature,Desiccated
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
I287034-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$288.90
50mg
I287034-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,205.90
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Why this grade

≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
(1r, 3s)-indatraline hydrochloride | CAS-96850-13-4 | MLS001423997 | NCGC00261369-01 | SR-01000075409-1 | (1R, 3S)-rel-3-(3, 4-Dichlorophenyl)-2, 3-dihydro-N-methyl-1H-inden-1-amine hydrochloride | CCG-100795 | SMR000449273 | HY-110019 | Indatraline (hydrochl
Specifications & Purity
≥99%(HPLC)
Biochemical and Physiological Mechanisms
Potent monoamine uptake inhibitor. Inhibits transporters for 5-HT (SERT), dopamine (DAT) and noradrenalin (NET) (Kivalues are 0.42, 1.7 and 5.8 nM respectively). Centrally active following systemic administrationin vivo.
Storage
Room temperature, Desiccated
Shipped In
Normal
Action Type
INHIBITOR
Purity
≥99%(HPLC)
Names and Identifiers
Canonical SmilesCNC1CC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
IUPAC Name(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
InChIKeyQICQDZXGZOVTEF-MELYUZJYSA-N
INCHI1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1
Isomeric SMILES CN[C@@H]1C[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
PubChem CID 10314472
Molecular Weight 328.67

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassIndanes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndanes
Alternative Parents Dichlorobenzenes  Aralkylamines  Aryl chlorides  Dialkylamines  Organopnictogen compounds  Organochlorides  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Indane - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySolvent:water, Max Conc. mg/mL: 3.29, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 32.87, Max Conc. mM: 100
Molecular Weight328.700 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass327.035 Da
Monoisotopic Mass327.035 Da
Topological Polar Surface Area12.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity309.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

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