1-(3-ALPHA-HYDROXY-20-OXO-5-ALPHA-PREGNAN-2-BETA-YL)-1-METHYLPIPERIDINIUM BROMIDE

CAS No.
18303-52-1
CCD No.
CCD00242653
Formula
C27 H46 N O2 . Br
MolWeight
496.569

Basic Information

Product Name: 1-(3-ALPHA-HYDROXY-20-OXO-5-ALPHA-PREGNAN-2-BETA-YL)-1-METHYLPIPERIDINIUM BROMIDE
CAS: 18303-52-1
English Synonyms: 1-(3-ALPHA-HYDROXY-20-OXO-5-ALPHA-PREGNAN-2-BETA-YL)-1-METHYLPIPERIDINIUM BROMIDE
MDL Number.: MFCD01699706
H bond acceptor: 3
H bond donor: 1
Smile: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[N+]5(CCCCC5)C)C)C.[Br-]
InChi: InChI=1S/C27H46NO2.BrH/c1-18(29)21-10-11-22-20-9-8-19-16-25(30)24(28(4)14-6-5-7-15-28)17-27(19,3)23(20)12-13-26(21,22)2;/h19-25,30H,5-17H2,1-4H3;1H/q+1;/p-1/t19-,20-,21+,22-,23-,24-,25-,26+,27-;/m0./s1
InChiKey: InChIKey=QLIPMFYHYJPCDH-ZXAHQPSLSA-M

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