CAS Registry Number®
119302-20-4
CAS Name
2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol
Molecular Formula
C27H46N2O3
Molecular Mass
446.67
Compound Properties
-
Melting Point (1)
215-218 °C
Source(s)
- (1) Wu, Xue-Ying; Chinese Chemical Letters, (2017), 28(2), 487-492, CAplus
Other Names and Identifiers
InChI
InChI=1S/C27H46N2O3/c1-26-8-7-20-19(21(26)16-22(25(26)31)28-9-3-4-10-28)6-5-18-15-24(30)23(17-27(18,20)2)29-11-13-32-14-12-29/h18-25,30-31H,3-17H2,1-2H3/t18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey
InChIKey=YKHDYPFPUAWBIW-QJRNWJQSSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Canonical SMILES
OC1CC2CCC3C(CCC4(C)C(O)C(N5CCCC5)CC34)C2(C)CC1N6CCOCC6
Other Names for this Substance
- Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2β,3α,5α,16β,17β)-
- (2β,3α,5α,16β,17β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol
- 2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol
- (2β,3α,5α,16β,17β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstan-3,17-diol
- 2-(4-Morpholinyl)-16-(pyrrolidin-1-yl)androstane-3,17-diol
