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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16N2O2
Molecular Weight 208.2569
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPILOCARPINE

SMILES

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

InChI

InChIKey=QCHFTSOMWOSFHM-WCBMZHEXSA-N
InChI=1S/C11H16N2O2/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/t8-,10+/m0/s1

HIDE SMILES / InChI
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:41 UTC 2023
Edited
by admin
on Sat Dec 16 08:25:41 UTC 2023
Record UNII
J9UV7D2OI9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPILOCARPINE
Common Name English
3-ISOPILOCARPINE
Common Name English
PILOCARPINE IMPURITY, ISOPILOCARPINE- [USP IMPURITY]
Common Name English
PILOCARPINE HYDROCHLORIDE IMPURITY ISOPILOCARPINE [USP IMPURITY]
Common Name English
PILOCARPINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
(3R,4R)-3-ETHYL-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)DIHYDROFURAN-2(3H)-ONE
Systematic Name English
2(3H)-FURANONE, 3-ETHYLDIHYDRO-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-, (3R,4R)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
208-506-5
Created by admin on Sat Dec 16 08:25:41 UTC 2023 , Edited by admin on Sat Dec 16 08:25:41 UTC 2023
PRIMARY
PUBCHEM
91468
Created by admin on Sat Dec 16 08:25:41 UTC 2023 , Edited by admin on Sat Dec 16 08:25:41 UTC 2023
PRIMARY
CAS
531-35-1
Created by admin on Sat Dec 16 08:25:41 UTC 2023 , Edited by admin on Sat Dec 16 08:25:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID701316166
Created by admin on Sat Dec 16 08:25:41 UTC 2023 , Edited by admin on Sat Dec 16 08:25:41 UTC 2023
PRIMARY
FDA UNII
J9UV7D2OI9
Created by admin on Sat Dec 16 08:25:41 UTC 2023 , Edited by admin on Sat Dec 16 08:25:41 UTC 2023
PRIMARY
CHEBI
39458
Created by admin on Sat Dec 16 08:25:41 UTC 2023 , Edited by admin on Sat Dec 16 08:25:41 UTC 2023
PRIMARY
Related Record Type Details
Structure of ISOPILOCARPINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of ISOPILOCARPINE NITRATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of PILOCARPINE NITRATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of PILOCARPINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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