116285-36-0
(5ALPHA,17BETA)-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-OXO-4-AZAANDROST-1-ENE-17-CARBOXAMIDE
Name(5ALPHA,17BETA)-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-OXO-4-AZAANDROST-1-ENE-17-CARBOXAMIDE
1Identification
【Name】
(5ALPHA,17BETA)-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-OXO-4-AZAANDROST-1-ENE-17-CARBOXAMIDE
【CAS】
【MDL】
MFCD00869791
【English Synonyms】
【Formula】
C23 H36 N2 O3
【MolWeight】
388.548
【Inchi】
InChI=1S/C23H36N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12,14-18,26H,5-9,11,13H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
【InChIKey】
InChIKey=MFUJYZCMHDCXGQ-WSBQPABSSA-N
【SMILES】
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)CO)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
【MOL File】
(5ALPHA,17BETA)-N-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5ALPHA,17BETA)-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-OXO-4-AZAANDROST-1-ENE-17-CARBOXAMIDE.cml