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Substance Name: Calusterone [USAN:INN]
RN: 17021-26-0
UNII: 0678G6Q58A
InChIKey: IVFYLRMMHVYGJH-PVPPCFLZSA-N

Classification Codes

  • Antineoplastic
  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C21-H32-O2

Molecular Weight

  • 316.4818
 
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Names and Synonyms

Name of Substance

  • Calusterone
  • Calusterone [USAN:INN]

Synonyms

  • 17-beta-Hydroxy-7-beta,17-alpha-dimethylandrost-4-ene-3-one
  • 17beta-Hydroxy-7beta,17-dimethylandrost-4-en-3-one
  • 17beta-Hydroxy-7beta,17alpha-dimethylandrost-4-ene-3-one
  • 4-08-00-01029 (Beilstein Handbook Reference)
  • 7-beta,17-alpha-Dimethyl testosterone
  • 7-beta,17-Dimethyltestosterone
  • 7beta,17-Dimethyltestosterone
  • 7beta,17alpha-Dimethyltestosterone
  • Androst-4-en-3-one, 17-beta-hydroxy-7-beta,17-dimethyl-
  • Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7beta,17beta)-
  • Androst-4-en-3-one, 17beta-hydroxy-7beta,17-dimethyl-
  • Androst-4-en-3-one, 7beta,17alpha-dimethyl-17beta-hydroxy-
  • BRN 3212336
  • Calusterona
  • Calusterona [INN-Spanish]
  • Calusterone
  • Calusteronum
  • Calusteronum [INN-Latin]
  • CLS
  • Dimethyltestosterone
  • HSDB 3210
  • Methosarb
  • NSC-88536
  • U 22550
  • U-22,550
  • UNII-0678G6Q58A

Systematic Names

  • 17-beta-hydroxy-7-beta-17-dimethyl androst-4-en-3-one (9CI)
  • Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7-beta,17-beta)- (9CI)
  • Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7beta,17beta)-
  • Androst-4-en-3-one, 17beta-hydroxy-7beta,17-dimethyl- (8CI)
  • Androst-4-en-3-one, 7-beta,17-alpha-dimethyl-17-beta-hydroxy-

Superlist Names

  • 7beta,17alpha-Dimethyl-17betahydroxyandrost-4-en-3-one
  • Calusterone
  • DEA No. 4000

Registry Numbers

CAS Registry Number

  • 17021-26-0

FDA UNII

  • 0678G6Q58A

System Generated Number

  • 0017021260

Structure Descriptors

InChI

1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1

InChIKey

IVFYLRMMHVYGJH-PVPPCFLZSA-N

Smiles

C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 257mg/kg/12W- (257mg/kg) GASTROINTESTINAL: GASTRITIS Tumori. Vol. 62, Pg. 79, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 157.5 deg C   EXP
log P (octanol-water) 4.140 (none)   EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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