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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16N2O2.ClH
Molecular Weight 244.718
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPILOCARPINE HYDROCHLORIDE

SMILES

Cl.CC[C@@H]1[C@@H](CC2=CN=CN2C)COC1=O

InChI

InChIKey=RNAICSBVACLLGM-KXNXZCPBSA-N
InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10+;/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 C11H16N2O2
Molecular Weight 208.2569
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:36:53 UTC 2023
Edited
by admin
on Sat Dec 16 08:36:53 UTC 2023
Record UNII
5NX545O53Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPILOCARPINE HYDROCHLORIDE
Common Name English
NSC-117178
Code English
2(3H)-FURANONE, 3-ETHYLDIHYDRO-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-, MONOHYDROCHLORIDE, (3R,4R)-
Systematic Name English
3-ISOPILOCARPINE, MONOHYDROCHLORIDE
Common Name English
.BETA.-PILOCARPINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
5NX545O53Z
Created by admin on Sat Dec 16 08:36:54 UTC 2023 , Edited by admin on Sat Dec 16 08:36:54 UTC 2023
PRIMARY
PUBCHEM
10285971
Created by admin on Sat Dec 16 08:36:54 UTC 2023 , Edited by admin on Sat Dec 16 08:36:54 UTC 2023
PRIMARY
NSC
117178
Created by admin on Sat Dec 16 08:36:54 UTC 2023 , Edited by admin on Sat Dec 16 08:36:54 UTC 2023
PRIMARY
ECHA (EC/EINECS)
249-338-2
Created by admin on Sat Dec 16 08:36:54 UTC 2023 , Edited by admin on Sat Dec 16 08:36:54 UTC 2023
PRIMARY
CAS
28958-85-2
Created by admin on Sat Dec 16 08:36:54 UTC 2023 , Edited by admin on Sat Dec 16 08:36:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE