Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Calcium pantothenate [USP:INN:JAN]
RN: 137-08-6
UNII: 568ET80C3D
InChIKey: FAPWYRCQGJNNSJ-UBKPKTQASA-L

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. /Pantothenic Acid/

Molecular Formulas

  • C18-H32-Ca-N2-O10
  • C18-H32-N2-O10.Ca
  • C9-H17-N-O5.1/2Ca

Molecular Weight

  • 476.5328
 

Classification Codes

  • Drug / Therapeutic Agent
  • Vitamin (Enzyme Co-Factor)
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt
  • Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine
  • Calcium pantothenate
  • Calcium pantothenate [USP:INN:JAN]
  • Pantothenic acid calcium salt
  • Vitamin B5, calcium salt

Synonyms

  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)-
  • Bis(pantothenato)calcium
  • Ca-HOPA
  • Calcii pantothenas
  • Calcii pantothenas [INN-Latin]
  • Calcium D(+)-N-(alpha,gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alaninate
  • Calcium D-pantothenate
  • Calcium D-pantothenate (1:2)
  • Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine (1:2), (R)-
  • Calcium panthothenate
  • Calcium pantothenate
  • Calcium pantothenate (2:1)
  • Calcium pantothenate (VAN)
  • Calcium, bis(pantothenato)-
  • Calpan
  • Calpanate
  • CCRIS 1338
  • Cris Pan
  • D-Calcium pantothenate calcium chloride double salt
  • Dextro calcium pantothenate
  • EINECS 205-278-9
  • N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine calcium
  • NSC 36292
  • Pancal
  • Panthoject
  • Pantholin
  • Pantotenato calcico
  • Pantotenato calcico [INN-Spanish]
  • Pantothenate calcium
  • Pantothenate de calcium
  • Pantothenate de calcium [INN-French]
  • Pantothenic acid, calcium salt
  • Pantothenic acid, calcium salt (2:1), (+)-
  • Pantothenic acid, calcium salt (2:1), D-
  • Pantothenic acid, calcium salt, D-, compd. with calcium chloride
  • UNII-568ET80C3D
  • Vitamin B5, calcium salt

Systematic Names

  • beta-Alanine, N-((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)
  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)-
  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (theta)-
  • Calcium pantothenate
  • Calcium pantothenate , D-form
  • Pantothenic acid, calcium salt (2:1), (+)-
  • Pantothenic acid, calcium salt (2:1), D-

Superlist Name

  • Calcium pantothenate

Mixture Name

  • Stuartinic

Registry Numbers

CAS Registry Number

  • 137-08-6

FDA UNII

  • 568ET80C3D

Other Registry Numbers

  • 138932-10-2
  • 533-61-9
  • 7693-16-5

System Generated Number

  • 0000137086

Molecular Formulas

Molecular Formulas

  • C18-H32-Ca-N2-O10
  • C18-H32-N2-O10.Ca
  • C9-H17-N-O5.1/2Ca

Molecular Formula Fragments

  • C18-H32-N2-O10
  • C9-H17-N-O5
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1

InChIKey

FAPWYRCQGJNNSJ-UBKPKTQASA-L

Smiles

[Ca+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 920mg/kg (920mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
mouse LD50 intravenous 910mg/kg (910mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
mouse LD50 oral 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 599, 1982.
mouse LD50 subcutaneous 2700mg/kg (2700mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
rat LD50 intraperitoneal 820mg/kg (820mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
rat LD50 intravenous 830mg/kg (830mg/kg)   Drugs in Japan Vol. 6, Pg. 599, 1982.
rat LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 599, 1982.
rat LD50 subcutaneous 3400mg/kg (3400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.