CAS 79868-89-6 | Pyrrolidinium, 1,1'-[(3a,5b,17b)-androst-9(11)-ene-3,17-diyl]bis[1-methyl-, diiodide (9CI) | CAS Number 79868-89-6

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79868-89-6 | Pyrrolidinium, 1,1'-[(3a,5b,17b)-androst-9(11)-ene-3,17-diyl]bis[1-methyl-, diiodide (9CI)

CAS No: 79868-89-6 Catalog No: AG005FAL MDL No:

Product Description

Catalog Number:

AG005FAL

Chemical Name:

Pyrrolidinium, 1,1'-[(3a,5b,17b)-androst-9(11)-ene-3,17-diyl]bis[1-methyl-, diiodide (9CI)

CAS Number:

79868-89-6

Molecular Formula:

C29H50I2N2

Molecular Weight:

680.5296

IUPAC Name:

1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-methylpyrrolidin-1-ium;diiodide

InChI:

InChI=1S/C29H50N2.2HI/c1-28-15-13-23(30(3)17-5-6-18-30)21-22(28)9-10-24-25-11-12-27(31(4)19-7-8-20-31)29(25,2)16-14-26(24)28;;/h14,22-25,27H,5-13,15-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24+,25+,27+,28+,29+;;/m1../s1

InChI Key:

HNWZERWXVHYEQG-PTQRBVSASA-L

SMILES:

C[C@]12CC[C@H](C[C@H]1CC[C@@H]1C2=CC[C@]2([C@H]1CC[C@@H]2[N+]1(C)CCCC1)C)[N+]1(C)CCCC1.[I-].[I-]