THIOPILOCARPINE PHOSPHATE

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 Search

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

Molecular Formula	C11H16N2OS
Molecular Weight	224.323
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H3O4P
Molecular Weight	97.9952
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 15:30:07 GMT 2023` Edited by `admin` on `Fri Dec 15 15:30:07 GMT 2023`
Record UNII	HZ0DY0JLD8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIOPILOCARPINE PHOSPHATE

Common 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

SDZ-ENS-163

Code

English

Code System Code Type Description

FDA UNII

HZ0DY0JLD8

Created by admin on Fri Dec 15 15:30:07 GMT 2023 , Edited by admin on Fri Dec 15 15:30:07 GMT 2023

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CAS

117707-51-4

Created by admin on Fri Dec 15 15:30:07 GMT 2023 , Edited by admin on Fri Dec 15 15:30:07 GMT 2023

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PUBCHEM

189508

Created by admin on Fri Dec 15 15:30:07 GMT 2023 , Edited by admin on Fri Dec 15 15:30:07 GMT 2023

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EPA CompTox

DTXSID90922525

Created by admin on Fri Dec 15 15:30:07 GMT 2023 , Edited by admin on Fri Dec 15 15:30:07 GMT 2023

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Related Record Type Details


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THIOPILOCARPINE

PARENT -> SALT/SOLVATE