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Substance Name: Pantenicate [INN]
RN: 96922-80-4
UNII: 9I7K4KJ1E4
InChIKey: PCGCUXHCEFYPOT-YQOHNZFASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C62-H78-N8-O20-S2

Molecular Weight

  • 1319.4662
 
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Names and Synonyms

Name of Substance

  • Pantenicate
  • Pantenicate [INN]

Synonyms

  • (R-(R*,R*))-3-Pyridylmethyl hydrogen succinate, tetraester with N,N'-(dithiobis(ethyleneiminocarbonylethylene))bis(2,4-dihydroxy-3,3-dimethylbutyramide)
  • 3-(3-Pyridinemethoxycarbonyl)propionic acid pantethine tetraester
  • MG 28362
  • Pantenicate
  • Pantenicato
  • Pantenicato [Spanish]
  • Pantenicatum
  • Pantenicatum [Latin]
  • UNII-9I7K4KJ1E4

Systematic Names

  • (R-(R*,R*))-3-Pyridylmethyl hydrogen succinate, tetraester with N,N'-(dithiobis(ethyleneiminocarbonylethylene))bis(2,4-dihydroxy-3,3-dimethylbutyramide)
  • 5,30-Dioxa-17,18-dithia-10,14,21,25-tetraazatetratriacontanedioic acid, 8,27-bis(1,4-dioxo-4-(3-pyridinylmethoxy)butoxy)-4,9,13,22,26,31-hexaoxo-7,7,28,28-tetramethyl-, bis(3-pyridinylmethyl) ester, (R-(R*,R*))-
  • 5,30-Dioxa-17,18-dithia-10,14,21,25-tetraazatetratriacontanedioic acid, 8,27-bis(1,4-dioxo-4-(3-pyridinylmethoxy)butoxy)-7,7,28,28-tetramethyl-4,9,13,22,26,31-hexaoxo-, bis(3-pyridinylmethyl) ester, (R-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 96922-80-4

FDA UNII

  • 9I7K4KJ1E4

System Generated Number

  • 0096922804

Structure Descriptors

InChI

1S/C62H78N8O20S2/c1-61(2,41-87-53(77)15-13-49(73)83-37-43-9-5-23-63-33-43)57(89-55(79)19-17-51(75)85-39-45-11-7-25-65-35-45)59(81)69-27-21-47(71)67-29-31-91-92-32-30-68-48(72)22-28-70-60(82)58(90-56(80)20-18-52(76)86-40-46-12-8-26-66-36-46)62(3,4)42-88-54(78)16-14-50(74)84-38-44-10-6-24-64-34-44/h5-12,23-26,33-36,57-58H,13-22,27-32,37-42H2,1-4H3,(H,67,71)(H,68,72)(H,69,81)(H,70,82)/t57-,58-/m0/s1

InChIKey

PCGCUXHCEFYPOT-YQOHNZFASA-N

Smiles

CC(C)(COC(=O)CCC(=O)OCc1cccnc1)[C@@H](OC(=O)CCC(=O)OCc2cccnc2)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)CCC(=O)OCc3cccnc3)C(C)(C)COC(=O)CCC(=O)OCc4cccnc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral > 8gm/kg (8000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 35, Pg. 1772, 1985.
rat LDLo oral 8gm/kg (8000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 35, Pg. 1772, 1985.