COTININE FUMARATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C10H12N2O.C4H4O4
Molecular Weight	468.5023
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of COTININE FUMARATE

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN1[C@@H](CCC1=O)C2=CN=CC=C2.CN3[C@@H](CCC3=O)C4=CN=CC=C4

InChI

InChIKey=NXHGVNVRWLOZDF-SZYUIZJOSA-N

InChI=1S/2C10H12N2O.C4H4O4/c2*1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;5-3(6)1-2-4(7)8/h2*2-3,6-7,9H,4-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*9-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C10H12N2O
Molecular Weight	176.2151
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:10:36 UTC 2023` Edited by `admin` on `Fri Dec 15 15:10:36 UTC 2023`
Record UNII	6ZAF060BHS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COTININE FUMARATE

Official Name

English

COTININE FUMARATE [MI]

Common Name

English

COTININE FUMARATE [USAN]

Common Name

English

1-METHYL-5-(3-PYRIDINYL)-2-PYRROLIDINONE FUMARATE

Systematic Name

English

N-METHYL-2-(3-PYRIDYL)-5-PYRROLIDONE FUMARATE

Systematic Name

English

(-)-1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE FUMARATE (2:1)

Systematic Name

English

2-PYRROLIDINONE, 1-METHYL-5-(3-PYRIDINYL)-, (S)-, (E)-2-BUTENEDIOATE (2:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C73579

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C80524

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

PRIMARY

PUBCHEM

20055460

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

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FDA UNII

6ZAF060BHS

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

PRIMARY

SMS_ID

100000138589

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

PRIMARY

CAS

5695-98-7

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

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ChEMBL

CHEMBL578211

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

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MERCK INDEX

m3811

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

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Merck Index

EVMPD

SUB78141

Created by admin on Fri Dec 15 15:10:37 UTC 2023 , Edited by admin on Fri Dec 15 15:10:37 UTC 2023

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