Pregn-5-en-20-one, 3-[1-oxo-3-(1-pyrrolidinyl)propoxy]-, hydrochloride, (3β)-
CAS Registry Number®
5015-41-8
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CAS Name
Pregn-5-en-20-one, 3-[1-oxo-3-(1-pyrrolidinyl)propoxy]-, hydrochloride, (3β)-Molecular Formula
C28H43NO3.ClHCite this Page
Pregn-5-en-20-one, 3-[1-oxo-3-(1-pyrrolidinyl)propoxy]-, hydrochloride, (3β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=5015-41-8 (retrieved ) (CAS RN: 5015-41-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
217-218 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C28H43NO3.ClH/c1-19(30)23-8-9-24-22-7-6-20-18-21(32-26(31)12-17-29-15-4-5-16-29)10-13-27(20,2)25(22)11-14-28(23,24)3;/h6,21-25H,4-5,7-18H2,1-3H3;1H/t21-,22-,23+,24-,25-,27-,28+;/m0./s1
InChIKey
InChIKey=KEIYREIAEMYFRP-HGEMSOPXSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CC=C1C[C@@H](OC(CCN5CCCC5)=O)CC2)[H])[H].Cl
Canonical SMILES
Cl.O=C(OC1CC2=CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1)CCN5CCCC5
Other Names for this Substance
- Pregn-5-en-20-one, 3-[1-oxo-3-(1-pyrrolidinyl)propoxy]-, hydrochloride, (3β)-
- Pregn-5-en-20-one, 3β-hydroxy-, 1-pyrrolidinepropionate, hydrochloride
- 1-Pyrrolidinepropionic acid, ester with 3β-hydroxypregn-5-en-20-one, hydrochloride
- 3β-(3-Pyrrolidin-1-yl propionyloxy)-5-pregnen-20-one
- NSC 83059