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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, (R)-

SMILES

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

InChI

InChIKey=IQCZDPRPOLRNQX-ZMBIFBSDSA-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-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C21H29NS2
Molecular Weight 359.592
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:06:22 GMT 2023
Edited
by admin
on Sat Dec 16 11:06:22 GMT 2023
Record UNII
DUA515DZ6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAPTODIAME HYDROCHLORIDE, (R)-
Common Name English
ETHANAMINE, 2-(((4-(BUTYLTHIO)PHENYL)PHENYLMETHYL)THIO)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76959956
Created by admin on Sat Dec 16 11:06:23 GMT 2023 , Edited by admin on Sat Dec 16 11:06:23 GMT 2023
PRIMARY
FDA UNII
DUA515DZ6A
Created by admin on Sat Dec 16 11:06:23 GMT 2023 , Edited by admin on Sat Dec 16 11:06:23 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER