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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H17NO5.C6H5NO2
Molecular Weight 318.323
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIACIN MEGLUMINE

SMILES

OC(=O)C1=CN=CC=C1.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI

InChIKey=JTSMZNJRRZKHNI-LJTMIZJLSA-N
InChI=1S/C7H17NO5.C6H5NO2/c1-8-2-4(10)6(12)7(13)5(11)3-9;8-6(9)5-2-1-3-7-4-5/h4-13H,2-3H2,1H3;1-4H,(H,8,9)/t4-,5+,6+,7+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C6H5NO2
Molecular Weight 123.1094
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H17NO5
Molecular Weight 195.2136
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:15:58 UTC 2023
Edited
by admin
on Sat Dec 16 05:15:58 UTC 2023
Record UNII
Q63V3NXS4D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIACIN MEGLUMINE
Common Name English
NICOTINIC ACID, COMPD. WITH 1-DEOXY-1-(METHYLAMINO)GLUCITOL (1:1)
Common Name English
NICOTINIC ACID METHYLGLUCAMINE
Common Name English
NICOTINIC ACID MEGLUMINE
Common Name English
D-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)-, 3-PYRIDINECARBOXYLATE (1:1) (SALT)
Systematic Name English
3-PYRIDINECARBOXYLIC ACID, COMPD. WITH 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
71652153
Created by admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 UTC 2023
PRIMARY
FDA UNII
Q63V3NXS4D
Created by admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 UTC 2023
PRIMARY
CAS
17162-31-1
Created by admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID20169143
Created by admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY