Structure

Norethynodrel

CAS
68-23-5
Catalog Number
ACM68235
Category
Steroidal Compounds
Molecular Weight
298.42
Molecular Formula
C20H26O2

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Specification

Synonyms
NORETHYNDREL;NORETHYNODREL;(17-alpha)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one;(17alpha)-19-norpregn-5(10)-en-20-yn-3-on;13-methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16,17-tetradecahyd;17-alpha-ethinyl-17-beta-hydroxy-delta(sup5(10))-es
IUPAC Name
(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4
InChI Key
ICTXHFFSOAJUMG-SLHNCBLASA-N
Boiling Point
441.6ºC at 760 mmHg
Melting Point
169-170ºC
Flash Point
188.2ºC
Density
1.15g/cm³
EC Number
200-682-1
Exact Mass
298.19300
WGK Germany
3
What is the PubChem CID of Norethynodrel?

PubChem CID 6231.

What is the molecular formula of Norethynodrel?

The molecular formula is C20H26O2.

What is the molecular weight of Norethynodrel?

The molecular weight is 298.4 g/mol.

What are the synonyms of Norethynodrel?

The synonyms are norethynodrel, Noretynodrel, 68-23-5, Norethinodrel, Enidrel, and more.

What is the IUPAC name of Norethynodrel?

The IUPAC name is (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of Norethynodrel?

The InChI is InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1.

What is the InChIKey of Norethynodrel?

The InChIKey is ICTXHFFSOAJUMG-SLHNCBLASA-N.

What is the canonical SMILES of Norethynodrel?

The canonical SMILES is CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4.

What is the CAS number of Norethynodrel?

The CAS number is 68-23-5.

What is the ChEMBL ID of Norethynodrel?

The ChEMBL ID is CHEMBL1387.

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