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Substance Name: Pantothenic Acid [BAN]
RN: 79-83-4
UNII: 19F5HK2737
InChIKey: GHOKWGTUZJEAQD-ZETCQYMHSA-N

Note

  • A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.

Molecular Formula

  • C9-H17-N-O5

Molecular Weight

  • 219.2353
 

Classification Codes

  • Growth Substances
  • Micronutrients
  • Vitamin B Complex
  • Vitamins

Names and Synonyms

Results Name

  • Pantothenic Acid [BAN]

Name of Substance

  • D-Pantothenic acid
  • Pantothenic acid
  • Pantothenic Acid [BAN]
  • Vitamin B5

MeSH Heading

  • Pantothenic acid

Synonyms

  • (D)-(+)-Pantothenic acid
  • (D,+)-N(alpha-gamma-Dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine
  • 4-04-00-02569 (Beilstein Handbook Reference)
  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-
  • BRN 1727064
  • Chick antidermatitis factor
  • D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine
  • D-Pantothenic acid
  • EINECS 201-229-0
  • HSDB 1020
  • Kyselina pantothenova
  • Kyselina pantothenova [Czech]
  • N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine
  • Pantothenic acid
  • UNII-19F5HK2737
  • Vitamin B3
  • Vitamin B5

Systematic Names

  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-
  • D-Pantothenic acid

Superlist Name

  • D-Pantothenic acid

Registry Numbers

CAS Registry Number

  • 79-83-4

FDA UNII

  • 19F5HK2737

Other Registry Number

  • 3563-85-7

System Generated Number

  • 0000079834

Structure Descriptors

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)/t7-/m0/s1

InChIKey

GHOKWGTUZJEAQD-ZETCQYMHSA-N

Smiles

CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1443mg/kg (1443mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Pharmaceutical Chemistry Journal Vol. 17, Pg. 32, 1983.
mouse LD50 subcutaneous 2500mg/kg (2500mg/kg)   Journal of the American College of Toxicology. Vol. 6(1), Pg. 139, 1987.
mouse LD50 unreported 2490mg/kg (2490mg/kg)   Bitamin. Vol. 25, Pg. 297, 1962.
rat LD50 subcutaneous 3500mg/kg (3500mg/kg)   Journal of the American College of Toxicology. Vol. 6(1), Pg. 139, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) -1.690 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Vapor Pressure 1.13E-10 mm Hg 25 EST
Henry's Law Constant 4.30E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.25E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.