Catalog Number:
AG00IM20
Chemical Name:
Cholestane-7,24-diol, 3-[[3-[(4-aminobutyl)amino]propyl]amino]-,trihydrochloride, (3b,5a,7a,24R)-
CAS Number:
169127-71-3
Molecular Formula:
C34H68Cl3N3O2
Molecular Weight:
657.2816
IUPAC Name:
(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-17-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol;trihydrochloride
InChI:
InChI=1S/C34H65N3O2.3ClH/c1-23(2)30(38)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-31(32)39)37-20-8-19-36-18-7-6-17-35;;;/h23-32,36-39H,6-22,35H2,1-5H3;3*1H/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-;;;/m1.../s1
InChI Key:
CXQOWWFLYKVSMO-ULKCMCFOSA-N
SMILES:
NCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)O)C)C)O)C.Cl.Cl.Cl
