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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H16O6.2C11H16N2O2
Molecular Weight 804.8834
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PILOCARPINE PAMOATE

SMILES

CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O.CC[C@H]3[C@@H](CC4=CN=CN4C)COC3=O.OC(=O)C5=CC6=C(C=CC=C6)C(CC7=C8C=CC=CC8=CC(C(O)=O)=C7O)=C5O

InChI

InChIKey=ZCECPEINCZVBPT-IWXKTIJTSA-N
InChI=1S/C23H16O6.2C11H16N2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*5,7-8,10H,3-4,6H2,1-2H3/t;2*8-,10-/m.00/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

Molecular Formula C23H16O6
Molecular Weight 388.3695
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 15:06:36 UTC 2023
Edited
by admin
on Fri Dec 15 15:06:36 UTC 2023
Record UNII
9O3667EIIX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PILOCARPINE PAMOATE
Common Name English
2-NAPHTHALENECARBOXYLIC ACID, 4,4'-METHYLENEBIS(3-HYDROXY-, COMPD. WITH (3S-CIS)-3-ETHYLDIHYDRO-4((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-2(3H)-FURANONE (1:2)
Common Name English
DIPILOCARPINE PAMOATE
Common Name English
Code System Code Type Description
PUBCHEM
6454501
Created by admin on Fri Dec 15 15:06:36 UTC 2023 , Edited by admin on Fri Dec 15 15:06:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID20212320
Created by admin on Fri Dec 15 15:06:36 UTC 2023 , Edited by admin on Fri Dec 15 15:06:36 UTC 2023
PRIMARY
CAS
63036-94-2
Created by admin on Fri Dec 15 15:06:36 UTC 2023 , Edited by admin on Fri Dec 15 15:06:36 UTC 2023
PRIMARY
FDA UNII
9O3667EIIX
Created by admin on Fri Dec 15 15:06:36 UTC 2023 , Edited by admin on Fri Dec 15 15:06:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE