NICOTINE HEMICITRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C10H14N2.C6H8O7
Molecular Weight	516.5866
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCC[C@H]1C2=CC=CN=C2.CN3CCC[C@H]3C4=CC=CN=C4.OC(=O)CC(O)(CC(O)=O)C(O)=O

InChI

InChIKey=YUYVXGFHICNTBI-RCWTXCDDSA-N

InChI=1S/2C10H14N2.C6H8O7/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*10-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C10H14N2
Molecular Weight	162.2316
Charge	0
Count

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

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:18:27 UTC 2023` Edited by `admin` on `Sat Dec 16 14:18:27 UTC 2023`
Record UNII	LSV6GBW93D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NICOTINE HEMICITRATE

Common Name

English

NICOTINE, CITRATE (2:1)

Common Name

English

PYRIDINE, 3-((2S)-1-METHYL-2-PYRROLIDINYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (2:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50916708