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Substance Name: Delmadinone acetate [USAN]
RN: 13698-49-2
UNII: 92833M0LD9
InChIKey: CGBCCZZJVKUAMX-DFXBJWIESA-N

Classification Codes

  • Anti-Androgen
  • Anti-Estrogen
  • Progestin

Molecular Formula

  • C23-H27-Cl-O4

Molecular Weight

  • 402.9153
 
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Names and Synonyms

Name of Substance

  • Delmadinone acetate
  • Delmadinone acetate [USAN]

Synonyms

  • 6-Chloro-17-hydroxypregna-1,4,6-triene-3,20-dione acetate
  • Delmadinone acetate
  • EINECS 237-219-8
  • RS 1301
  • RS-1301
  • Tardak
  • Tardastrex
  • UNII-92833M0LD9

Systematic Names

  • Delmadinone acetate
  • Pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-

Registry Numbers

CAS Registry Number

  • 13698-49-2

FDA UNII

  • 92833M0LD9

System Generated Number

  • 0013698492

Structure Descriptors

InChI

1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1

InChIKey

CGBCCZZJVKUAMX-DFXBJWIESA-N

Smiles

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 168 deg C   EXP
log P (octanol-water) 3.730 (none)   EST
Water Solubility 4.57 mg/L 25 EXP
Atmospheric OH Rate Constant 4.63E-11 cm3/molecule-sec 25 EST

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