166896-74-8
17B-(TERT-BUTYLCARBAMOYL)-4-AZA-5A-ANDROSTEN-3-ONE
Name17B-(TERT-BUTYLCARBAMOYL)-4-AZA-5A-ANDROSTEN-3-ONE
1Identification
【Name】
17B-(TERT-BUTYLCARBAMOYL)-4-AZA-5A-ANDROSTEN-3-ONE
【CAS】
【MDL】
MFCD09038716
【English Synonyms】
(4AR,4BS,6AS,9AS,9BS)-N-TERT-BUTYL-4A,6A-DIMETHYL-2-OXO-2,3,4,4A,4B,5,6,6A,7,8,9,9A,9B,10-TETRADECAHYDRO-1H-INDENO[5,4-F]QUINOLINE-7-CARBOXAMIDE
【Formula】
C23 H36 N2 O2
【MolWeight】
372.549
【Inchi】
InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h9,14-17H,6-8,10-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,22-,23+/m0/s1
【InChIKey】
InChIKey=IHYQEUFHHYXVFL-FIIPNDBVSA-N
【SMILES】
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(CCC(=O)N4)C
【MOL File】
17B-(TERT-BUTYLCARBA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
17B-(TERT-BUTYLCARBAMOYL)-4-AZA-5A-ANDROSTEN-3-ONE.cml