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Substance Name: Nicocortonide [INN]
RN: 65415-41-0
UNII: 341BNG318Y
InChIKey: LZHLAFIPUJPCBN-ZTOAAZPKSA-N

Molecular Formula

  • C31-H37-N-O7

Molecular Weight

  • 535.633
 
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Names and Synonyms

Name of Substance

  • Nicocortonide
  • Nicocortonide [INN]

Synonyms

  • 11beta,21-Dihydroxy-14alpha,17alpha-(1-propenylmethylendioxy)-4-pregnen-3,20-dion 21-isonicotinat
  • EINECS 265-754-7
  • Nicocortonida
  • Nicocortonida [INN-Spanish]
  • Nicocortonide
  • Nicocortonidum
  • Nicocortonidum [INN-Latin]
  • UNII-341BNG318Y

Systematic Names

  • 11beta,14,17,21-Tetrahydroxypregn-4-ene-3,20-dione cyclic 14,17-acetal with crotonaldehyde, 21-isonicotinate
  • Nicocortonide
  • Pregn-4-ene-3,20-dione, 14,17-(2-butenylidenebis(oxy))-11-hydroxy-21-((4-pyridinylcarbonyl)oxy)-, (11beta)-

Registry Numbers

CAS Registry Number

  • 65415-41-0

FDA UNII

  • 341BNG318Y

System Generated Number

  • 0065415410

Structure Descriptors

InChI

1S/C31H37NO7/c1-4-5-25-38-30-12-13-31(39-25,24(35)18-37-27(36)19-9-14-32-15-10-19)29(30,3)17-23(34)26-22(30)7-6-20-16-21(33)8-11-28(20,26)2/h4-5,9-10,14-16,22-23,25-26,34H,6-8,11-13,17-18H2,1-3H3/b5-4-/t22-,23+,25?,26-,28+,29+,30-,31+/m1/s1

InChIKey

LZHLAFIPUJPCBN-ZTOAAZPKSA-N

Smiles

C1C(C=C2[C@@](C1)([C@@H]1[C@H]([C@@]34O[C@@H](O[C@@](C(=O)COC(c5ccncc5)=O)(CC4)[C@@]3(C[C@@H]1O)C)\C=C/C)CC2)C)=O