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Details

Stereochemistry ACHIRAL
Molecular Formula C32H38Cl2N10O4.ClH
Molecular Weight 734.076
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TALLIMUSTINE HYDROCHLORIDE

SMILES

Cl.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N

InChI

InChIKey=BLSOATWWAGIRGE-UHFFFAOYSA-N
InChI=1S/C32H38Cl2N10O4.ClH/c1-41-18-22(14-25(41)30(46)37-11-8-28(35)36)39-32(48)27-16-23(19-43(27)3)40-31(47)26-15-21(17-42(26)2)38-29(45)20-4-6-24(7-5-20)44(12-9-33)13-10-34;/h4-7,14-19H,8-13H2,1-3H3,(H3,35,36)(H,37,46)(H,38,45)(H,39,48)(H,40,47);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
TALLIMUSTINE HYDROCHLORIDE
Common Name English
N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-4-(((4-((4-(BIS(2-CHLOROETHYL)AMINO)BENZOYL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE HYDROCHLORIDE
Systematic Name English
FCE-24517
Code English
Code System Code Type Description
FDA UNII
JWV8AC9E4V
Created by admin on Fri Dec 15 15:39:14 UTC 2023 , Edited by admin on Fri Dec 15 15:39:14 UTC 2023
PRIMARY
CAS
118438-45-2
Created by admin on Fri Dec 15 15:39:14 UTC 2023 , Edited by admin on Fri Dec 15 15:39:14 UTC 2023
PRIMARY
DRUG BANK
DBSALT002880
Created by admin on Fri Dec 15 15:39:14 UTC 2023 , Edited by admin on Fri Dec 15 15:39:14 UTC 2023
PRIMARY
PUBCHEM
6918104
Created by admin on Fri Dec 15 15:39:14 UTC 2023 , Edited by admin on Fri Dec 15 15:39:14 UTC 2023
PRIMARY