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Details

Stereochemistry RACEMIC
Molecular Formula C9H17NO5
Molecular Weight 219.235
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PANTOTHENIC ACID, (±)-

SMILES

CC(C)(CO)C(O)C(=O)NCCC(O)=O

InChI

InChIKey=GHOKWGTUZJEAQD-UHFFFAOYSA-N
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H17NO5
Molecular Weight 219.235
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

PANTOTHENIC ACID, (±)- is a racemic mixture of D-pantothenic acid and L-pantothenic acid. Only dextrorotatory isomer, also called vitamin B5, possess biological activity. Tht levorotatory form is an antagonist of D-pantothenic acid as was shown in animal experiments.

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:57:33 GMT 2023
Edited
by admin
on Fri Dec 15 18:57:33 GMT 2023
Record UNII
66Y94D1203
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PANTOTHENIC ACID, (±)-
Common Name English
(±)-3-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYRAMIDO)PROPIONIC ACID
Systematic Name English
DL-PANTOTHENIC ACID
Systematic Name English
.BETA.-ALANINE, N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-
Systematic Name English
PANTOTHENIC ACID, DL-
Common Name English
(±)-PANTOTHENIC ACID
Systematic Name English
.BETA.-ALANINE, N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-, (±)-
Systematic Name English
Code System Code Type Description
RXCUI
2394646
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
FDA UNII
66Y94D1203
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-965-4
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
CAS
599-54-2
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID7047229
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
PUBCHEM
988
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
DAILYMED
66Y94D1203
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT