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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12N2O.ClH
Molecular Weight 224.687
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VASICINE HYDROCHLORIDE

SMILES

Cl.O[C@H]1CCN2CC3=C(C=CC=C3)N=C12

InChI

InChIKey=CSDQSAHJCAKJPT-PPHPATTJSA-N
InChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C11H12N2O
Molecular Weight 188.2258
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:47 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:47 GMT 2023
Record UNII
K57XIG5Y4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VASICINE HYDROCHLORIDE
MI  
Common Name English
VASICINE HYDROCHLORIDE [MI]
Common Name English
(-)-VASICINE HYDROCHLORIDE
Common Name English
(-)-PEGANINE HYDROCHLORIDE
Common Name English
LINARINE HYDROCHLORIDE
Common Name English
PEGANINE HYDROCHLORIDE
Common Name English
PYRROLO(2,1-B)QUINAZOLIN-3-OL, 1,2,3,9-TETRAHYDRO-, MONOHYDROCHLORIDE, (3S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00992370
Created by admin on Sat Dec 16 08:13:47 GMT 2023 , Edited by admin on Sat Dec 16 08:13:47 GMT 2023
PRIMARY
PUBCHEM
197084
Created by admin on Sat Dec 16 08:13:47 GMT 2023 , Edited by admin on Sat Dec 16 08:13:47 GMT 2023
PRIMARY
FDA UNII
K57XIG5Y4Y
Created by admin on Sat Dec 16 08:13:47 GMT 2023 , Edited by admin on Sat Dec 16 08:13:47 GMT 2023
PRIMARY
MERCK INDEX
m11397
Created by admin on Sat Dec 16 08:13:47 GMT 2023 , Edited by admin on Sat Dec 16 08:13:47 GMT 2023
PRIMARY Merck Index
CAS
7174-27-8
Created by admin on Sat Dec 16 08:13:47 GMT 2023 , Edited by admin on Sat Dec 16 08:13:47 GMT 2023
PRIMARY