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Substance Name: Benzodrocortisone
RN: 28956-89-0
UNII: BCV386QGUZ
InChIKey: LPEYMYDYPGRLBU-YGZHYJPASA-N

Molecular Formula

  • C28-H34-O6

Molecular Weight

  • 466.571
 
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Names and Synonyms

Name of Substance

  • Benzodrocortisone

Synonyms

  • EINECS 249-328-8
  • UNII-BCV386QGUZ

Systematic Name

  • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-benzoate

Registry Numbers

CAS Registry Number

  • 28956-89-0

FDA UNII

  • BCV386QGUZ

System Generated Number

  • 0028956890

Structure Descriptors

InChI

1S/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1

InChIKey

LPEYMYDYPGRLBU-YGZHYJPASA-N

Smiles

C=12[C@@]([C@H]3[C@H](C[C@@]4([C@@](OC(=O)c5ccccc5)(C(=O)CO)CC[C@@H]4[C@@H]3CC2)C)O)(CCC(=O)C1)C