CAS 119302-18-0 | Piperidinium, 1-[(2β,3α,5α,16β,17α)-3-(acetyloxy)-17-(1-oxobutoxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide (9CI) | CAS Number 119302-18-0

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119302-18-0 | Piperidinium, 1-[(2β,3α,5α,16β,17α)-3-(acetyloxy)-17-(1-oxobutoxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide (9CI)

CAS No: 119302-18-0 Catalog No: AG000IKY MDL No:

Product Description

Catalog Number:

AG000IKY

Chemical Name:

Piperidinium, 1-[(2β,3α,5α,16β,17α)-3-(acetyloxy)-17-(1-oxobutoxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide (9CI)

CAS Number:

119302-18-0

Molecular Formula:

C36H61BrN2O4

Molecular Weight:

665.7845

IUPAC Name:

[(8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate

InChI:

InChI=1S/C36H61N2O4/c1-6-13-33(40)42-34-31(38(5)20-11-8-12-21-38)23-29-27-15-14-26-22-32(41-25(2)39)30(37-18-9-7-10-19-37)24-36(26,4)28(27)16-17-35(29,34)3/h26-32,34H,6-24H2,1-5H3/q+1/t26?,27-,28+,29+,30?,31?,32?,34?,35+,36+/m1/s1

InChI Key:

JKRUIPFBZRSBER-LTMDSSCTSA-N

SMILES:

CCCC(=O)O[C@@H]1[C@H](C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H](N1CCCCC1)[C@H](C2)OC(=O)C)[N+]1(C)CCCCC1.[Br-]