chempirical

Galeterone

C26H32N2OCAS 851983-85-2388.56 g/mol

Open in Covalent MOL file
OHNN
AlcoholAlkene

Properties

Molecular formula
C26H32N2O
Molar mass
388.56 g/mol
Exact mass
388.2515 Da
Melting point
189–190 °C
logP
5.81Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
R, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
851983-85-2
SMILES
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12
InChIKey
PAFKTGFSEFKSQG-PAASFTFBSA-N
InChI
InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, (3β)-
  • (3β)-17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3-ol
  • VN/124-1
  • VN 124
  • TOK 001
  • Galaterone
  • TK-001

Work with Galeterone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Abiraterone154229-19-354 % similar 16-Dehydropregnenolone1162-53-451 % similar Dehydroepiandrosterone53-43-049 % similar Androstenediol521-17-548 % similar Methandriol521-10-848 % similar 17-Hydroxypregnenolone387-79-146 % similar Pregnenolone145-13-144 % similar Campesterol474-62-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook