U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21ClN2.ClH
Molecular Weight 337.287
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.CN1CCN(CC1)[C@@H](C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=MSIJLVMSKDXAQN-FERBBOLQSA-N
InChI=1S/C18H21ClN2.ClH/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;/h2-10,18H,11-14H2,1H3;1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C18H21ClN2
Molecular Weight 300.826
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 10:12:13 GMT 2023
Edited
by admin
on Sat Dec 16 10:12:13 GMT 2023
Record UNII
015F8U72D9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORCYCLIZINE HYDROCHLORIDE, (S)-
Common Name English
CHLORCYCLIZINE HYDROCHLORIDE, (+)-
Common Name English
PIPERAZINE, 1-((4-CHLOROPHENYL)PHENYLMETHYL)-4-METHYL-, HYDROCHLORIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73415933
Created by admin on Sat Dec 16 10:12:13 GMT 2023 , Edited by admin on Sat Dec 16 10:12:13 GMT 2023
PRIMARY
FDA UNII
015F8U72D9
Created by admin on Sat Dec 16 10:12:13 GMT 2023 , Edited by admin on Sat Dec 16 10:12:13 GMT 2023
PRIMARY
CAS
787620-21-7
Created by admin on Sat Dec 16 10:12:13 GMT 2023 , Edited by admin on Sat Dec 16 10:12:13 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER