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Substance Name: Zinc pantothenate
RN: 65979-81-9
InChIKey: ZAABEEUCMDURSM-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H32-N2-O10.Zn

Molecular Weight

  • 501.845
 
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Names and Synonyms

Results Name

  • Zinc pantothenate

Synonyms

  • (R)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine zinc salt (2:1)
  • (T-4-(R),(R))-Bis(N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninato)zinc
  • Pantothenate de zinc
  • Pantothenate de zinc [French]
  • Pantothenic acid, zinc salt
  • Zinc pantothenate

Systematic Names

  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethylbutyryl)-, zinc salt (2:1), (R)-
  • Zinc, bis(N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninato)-, (T-4-(R),(R))- (9CI)

Registry Numbers

CAS Registry Number

  • 65979-81-9

System Generated Number

  • 0065979819

Molecular Formulas

Molecular Formula

  • C18-H32-N2-O10.Zn

Molecular Formula Fragments

  • C18-H32-N2-O10
  • COMPONENT
  • Zn

Structure Descriptors

InChI

1S/2C9H17NO5.Zn/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

InChIKey

ZAABEEUCMDURSM-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 342mg/kg (342mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH Toxicological European Research. Vol. 1, Pg. 371, 1978.
mouse LD50 oral 2161mg/kg (2161mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH Toxicological European Research. Vol. 1, Pg. 371, 1978.
rat LD50 intraperitoneal 489mg/kg (489mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH Toxicological European Research. Vol. 1, Pg. 371, 1978.
rat LD50 oral 3763mg/kg (3763mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH Toxicological European Research. Vol. 1, Pg. 371, 1978.