SIMPINICLINE CITRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H13N3.C6H8O7
Molecular Weight	367.3538
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.C1C[C@@H](CN1)\C=C\C2=CN=CN=C2

InChI

InChIKey=HVGZXVVUVQKTSC-OUCPDFHMSA-N

InChI=1S/C10H13N3.C6H8O7/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,6-9,11H,3-5H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b2-1+;/t9-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C10H13N3
Molecular Weight	175.2303
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:07:35 UTC 2023` Edited by `admin` on `Sat Dec 16 16:07:35 UTC 2023`
Record UNII	EZ0ZN2R899
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIMPINICLINE CITRATE

Official Name

English

TC-6499-221

Code

English

SIMPINICLINE CITRATE [USAN]

Common Name

English

OC-02 CITRATE

Code

English

5-[(1E)-2-(3R)-3-Pyrrolidinylethenyl]pyrimidine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Systematic Name

English

PYRIMIDINE, 5-((1E)-2-(3R)-3-PYRROLIDINYLETHENYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

EZ0ZN2R899