InChI=1S/C19H29NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h11-15H,3-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1

【InChIKey】

InChIKey=MJXIPHMGYJXKLJ-MLGOENBGSA-N

【SMILES】

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC[C@@H]4[C@@]3(CCC(=O)N4)C

【MOL File】

3-OXO-4-AZA-5-ALPHA-….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:4

XLogP3:2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

3-OXO-4-AZA-5-ALPHA-ANDROSTANE-17-BETA-CARBOXYLIC ACID.cml

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103335-55-3 3-OXO-4-AZA-5-ALPHA-ANDROSTANE-17-BETA-CARBOXYLIC ACID

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】