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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NS2.ClH
Molecular Weight 396.053
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPTODIAME HYDROCHLORIDE, (S)-

SMILES

Cl.CCCCSC1=CC=C(C=C1)[C@@H](SCCN(C)C)C2=CC=CC=C2

InChI

InChIKey=IQCZDPRPOLRNQX-BOXHHOBZSA-N
InChI=1S/C21H29NS2.ClH/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H/t21-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ETHANAMINE, 2-(((4-(BUTYLTHIO)PHENYL)PHENYLMETHYL)THIO)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1), (S)-
Preferred Name English
CAPTODIAME HYDROCHLORIDE, (S)-
Common Name English
Code System Code Type Description
PUBCHEM
76959958
Created by admin on Mon Mar 31 23:38:46 GMT 2025 , Edited by admin on Mon Mar 31 23:38:46 GMT 2025
PRIMARY
FDA UNII
Y1FG7PSW1F
Created by admin on Mon Mar 31 23:38:46 GMT 2025 , Edited by admin on Mon Mar 31 23:38:46 GMT 2025
PRIMARY
NIH
NCATS
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