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Details

Stereochemistry RACEMIC
Molecular Formula C6H7NO.C4H6O5
Molecular Weight 243.2133
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of NICOTINYL ALCOHOL MALATE

SMILES

OCC1=CN=CC=C1.OC(CC(O)=O)C(O)=O

InChI

InChIKey=ZTFZMPGWBKSBSL-UHFFFAOYSA-N
InChI=1S/C6H7NO.C4H6O5/c8-5-6-2-1-3-7-4-6;5-2(4(8)9)1-3(6)7/h1-4,8H,5H2;2,5H,1H2,(H,6,7)(H,8,9)

HIDE SMILES / InChI

Molecular Formula C4H6O5
Molecular Weight 134.0874
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C6H7NO
Molecular Weight 109.1259
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 15:35:58 UTC 2023
Edited
by admin
on Fri Dec 15 15:35:58 UTC 2023
Record UNII
W6T0WO5LEJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICOTINYL ALCOHOL MALATE
Common Name English
3-PYRIDINEMETHANOL, HYDROXYBUTANEDIOATE (SALT)
Systematic Name English
BUTANEDIOIC ACID, HYDROXY-, COMPD. WITH 3-PYRIDINEMETHANOL
Systematic Name English
Code System Code Type Description
PUBCHEM
137321938
Created by admin on Fri Dec 15 15:35:59 UTC 2023 , Edited by admin on Fri Dec 15 15:35:59 UTC 2023
PRIMARY
CAS
181074-82-8
Created by admin on Fri Dec 15 15:35:59 UTC 2023 , Edited by admin on Fri Dec 15 15:35:59 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
W6T0WO5LEJ
Created by admin on Fri Dec 15 15:35:59 UTC 2023 , Edited by admin on Fri Dec 15 15:35:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE