ALTINICLINE MALEATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H14N2.C4H4O4
Molecular Weight	302.3251
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ALTINICLINE MALEATE

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN1CCC[C@H]1C2=CN=CC(=C2)C#C

InChI

InChIKey=BCPPKHPWLRPWBJ-OURKGEEVSA-N

InChI=1S/C12H14N2.C4H4O4/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2;5-3(6)1-2-4(7)8/h1,7-9,12H,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C12H14N2
Molecular Weight	186.253
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:26 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:26 UTC 2023`
Record UNII	PCL7Q9Q62Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALTINICLINE MALEATE

Official Name

English

(-)-3-ETHYNYL-5-((S)-1-METHYL-2-PYRROLIDINYL)PYRIDINE MALEATE (1:1)

Systematic Name

English

ALTINICLINE MALEATE [USAN]

Common Name

English

(-)-5-ETHYNYLNICOTINE MALEATE (1:1)

Common Name

English

SIB-1508Y

Code

English

(S)-3-ETHYNYL-5-(1-METHYL-2-PYRROLIDINYL)PYRIDINE (Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C73579

Created by admin on Fri Dec 15 15:54:26 UTC 2023 , Edited by admin on Fri Dec 15 15:54:26 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL111659

Created by admin on Fri Dec 15 15:54:26 UTC 2023 , Edited by admin on Fri Dec 15 15:54:26 UTC 2023

PRIMARY

CAS

192231-16-6

Created by admin on Fri Dec 15 15:54:26 UTC 2023 , Edited by admin on Fri Dec 15 15:54:26 UTC 2023

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PUBCHEM

10968648

Created by admin on Fri Dec 15 15:54:26 UTC 2023 , Edited by admin on Fri Dec 15 15:54:26 UTC 2023

PRIMARY

NCI_THESAURUS

C90896

Created by admin on Fri Dec 15 15:54:26 UTC 2023 , Edited by admin on Fri Dec 15 15:54:26 UTC 2023

PRIMARY

MESH

C100989

Created by admin on Fri Dec 15 15:54:26 UTC 2023 , Edited by admin on Fri Dec 15 15:54:26 UTC 2023

PRIMARY

FDA UNII

PCL7Q9Q62Q

Created by admin on Fri Dec 15 15:54:26 UTC 2023 , Edited by admin on Fri Dec 15 15:54:26 UTC 2023

PRIMARY

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ACTIVE MOIETY