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Details

Stereochemistry ACHIRAL
Molecular Formula C28H32N4O3S.ClH
Molecular Weight 541.105
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-901 HYDROCHLORIDE

SMILES

Cl.CCS(=O)(=O)C1=CC(=CC=C1)C2=CC(C(=O)NC3CCN(C)CC3)=C(C)C4=C2C5=C(N4)N=CC(C)=C5

InChI

InChIKey=VJCDELBBEITKBS-UHFFFAOYSA-N
InChI=1S/C28H32N4O3S.ClH/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26;/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
TAK-901 HYDROCHLORIDE
Common Name English
9H-PYRIDO(2,3-B)INDOLE-7-CARBOXAMIDE, 5-(3-(ETHYLSULFONYL)PHENYL)-3,8-DIMETHYL-N-(1-METHYL-4-PIPERIDINYL)-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
24970120
Created by admin on Fri Dec 15 17:00:37 UTC 2023 , Edited by admin on Fri Dec 15 17:00:37 UTC 2023
PRIMARY
CAS
934542-50-4
Created by admin on Fri Dec 15 17:00:37 UTC 2023 , Edited by admin on Fri Dec 15 17:00:37 UTC 2023
PRIMARY
FDA UNII
3Y4400C9E8
Created by admin on Fri Dec 15 17:00:37 UTC 2023 , Edited by admin on Fri Dec 15 17:00:37 UTC 2023
PRIMARY