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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16N2OS.H3O4P
Molecular Weight 322.318
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOPILOCARPINE PHOSPHATE

SMILES

OP(O)(O)=O.CC[C@H]1[C@@H](CC2=CN=CN2C)CSC1=O

InChI

InChIKey=PSRPKRDUWXFVQS-GNAZCLTHSA-N
InChI=1S/C11H16N2OS.H3O4P/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;1-5(2,3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H3,1,2,3,4)/t8-,10-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
THIOPILOCARPINE PHOSPHATE
Common Name English
SDZ-ENS-163
Preferred Name English
2(3H)-THIOPHENONE, 3-ETHYLDIHYDRO-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-, (3S,4R)-, PHOSPHATE (1:1)
Systematic Name English
(+)-(3S,CIS)-3-ETHYLDIHYDRO-4-((1-METHYL-LH-IMIDAZOL-5-YL)METHYL-2(3H)-THIPHENONEDIHYDROGENPHOSPHATE)
Systematic Name English
Code System Code Type Description
FDA UNII
HZ0DY0JLD8
Created by admin on Mon Mar 31 17:59:15 GMT 2025 , Edited by admin on Mon Mar 31 17:59:15 GMT 2025
PRIMARY
CAS
117707-51-4
Created by admin on Mon Mar 31 17:59:15 GMT 2025 , Edited by admin on Mon Mar 31 17:59:15 GMT 2025
PRIMARY
PUBCHEM
189508
Created by admin on Mon Mar 31 17:59:15 GMT 2025 , Edited by admin on Mon Mar 31 17:59:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID90922525
Created by admin on Mon Mar 31 17:59:15 GMT 2025 , Edited by admin on Mon Mar 31 17:59:15 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of THIOPILOCARPINE
NIH
NCATS
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