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Substance Name: Pantethine [JAN]
RN: 16816-67-4
UNII: 7K81IL792L
InChIKey: DJWYOLJPSHDSAL-ROUUACIJSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C22-H42-N4-O8-S2

Molecular Weight

  • 554.7258
 
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Names and Synonyms

Name of Substance

  • Butanamide, N,N'-(dithiobis(2,1-ethanediylimino(3-oxo-3,1-propanediyl)))bis(2- ,4-dihydroxy-3,3-dimethyl-
  • N,N'-(Dithiobis(2,1-ethanediylimino(3-oxo-3,1-propanediyl)))bis(2- ,4-dihydroxy-3,3-dimethylbutanamide
  • Pantethine
  • Pantethine [JAN]

Synonyms

  • Bis(pantothenamidoethyl) disulfide
  • D-Bis(N-pantothenyl-beta-aminoethyl) disulfide
  • D-Pantethine
  • EINECS 240-842-8
  • LBF disulfide
  • Lipodel
  • Pantethine
  • Pantetina
  • Pantomin
  • Pantosin
  • UNII-7K81IL792L

Systematic Names

  • (R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide)
  • Bis(N-pantothenylamidoethyl) disulfide
  • Butyramide, N,N'-(dithiobis(ethyleneiminocarbonylethylene))bis(2,4-dihydroxy-3,3-dimethyl-, D-(+)-
  • D-Bis(N-pantothenyl-2-aminoethyl)-disulfide

Registry Numbers

CAS Registry Number

  • 16816-67-4

FDA UNII

  • 7K81IL792L

Other Registry Number

  • 303-05-9

System Generated Number

  • 0016816674

Structure Descriptors

InChI

1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1

InChIKey

DJWYOLJPSHDSAL-ROUUACIJSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 5100mg/kg (5100mg/kg)   Drugs in Japan Vol. 6, Pg. 598, 1982.
mouse LD50 intraperitoneal 4800mg/kg (4800mg/kg)   Drugs in Japan Vol. 6, Pg. 598, 1982.
mouse LD50 intravenous 3400mg/kg (3400mg/kg)   Drugs in Japan Vol. 6, Pg. 598, 1982.
mouse LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 598, 1982.
mouse LD50 subcutaneous 4870mg/kg (4870mg/kg)   Drugs in Japan Vol. 6, Pg. 598, 1982.
rat LD50 intramuscular 5100mg/kg (5100mg/kg)   "Modern Pharmaceuticals of Japan, IV," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1972Vol. -, Pg. 98, 1972.
rat LD50 intraperitoneal 4810mg/kg (4810mg/kg)   "Modern Pharmaceuticals of Japan, IV," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1972Vol. -, Pg. 98, 1972.
rat LD50 intravenous 3410mg/kg (3410mg/kg)   "Modern Pharmaceuticals of Japan, IV," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1972Vol. -, Pg. 98, 1972.
rat LD50 oral > 10gm/kg (10000mg/kg)   "Modern Pharmaceuticals of Japan, IV," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1972Vol. -, Pg. 98, 1972.
rat LD50 subcutaneous > 4870mg/kg (4870mg/kg)   "Modern Pharmaceuticals of Japan, IV," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1972Vol. -, Pg. 98, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -4.170 (none)   EST
Atmospheric OH Rate Constant 3.28E-10 cm3/molecule-sec 25 EST

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