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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H21N3.ClH
Molecular Weight 339.862
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APTIGANEL HYDROCHLORIDE

SMILES

Cl.CCC1=CC=CC(=C1)N(C)C(=N)NC2=CC=CC3=CC=CC=C23

InChI

InChIKey=CKAKVKWRMCAYJD-UHFFFAOYSA-N
InChI=1S/C20H21N3.ClH/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19;/h4-14H,3H2,1-2H3,(H2,21,22);1H

HIDE SMILES / InChI

Molecular Formula C20H21N3
Molecular Weight 303.4008
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Fri Dec 15 15:41:37 UTC 2023
Edited
by admin
on Fri Dec 15 15:41:37 UTC 2023
Record UNII
40PWH14OXW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APTIGANEL HYDROCHLORIDE
MART.   MI   USAN  
USAN  
Official Name English
CNS-1102
Code English
CERESTAT
Brand Name English
APTIGANEL HYDROCHLORIDE [MI]
Common Name English
1-(M-ETHYLPHENYL)-1-METHYL-3-(1-NAPHTHYL)GUANIDINE MONOHYDROCHLORIDE
Systematic Name English
APTIGANEL HYDROCHLORIDE [MART.]
Common Name English
APTIGANEL HCL
Common Name English
CNS1102
Code English
GUANIDINE, N-(3-ETHYLPHENYL)-N-METHYL-N'-1-NAPHTHALENYL, MONOHYDROCHLORIDE
Common Name English
APTIGANEL HYDROCHLORIDE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1509
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID9045762
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
USAN
GG-9
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
ChEMBL
CHEMBL92484
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
CAS
137160-11-3
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
FDA UNII
40PWH14OXW
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
MERCK INDEX
m2017
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY Merck Index
PUBCHEM
60839
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
NCI_THESAURUS
C142929
Created by admin on Fri Dec 15 15:41:37 UTC 2023 , Edited by admin on Fri Dec 15 15:41:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY