Ethynodiol diacetate

CAS

297-76-7

Catalog Number

ACM297767

Category

Steroidal Compounds

Molecular Weight

384.51

Molecular Formula

C₂₄H₃₂O₄

MSDS COA Spec Sheet

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Specification

Synonyms

Femulen; ETHYNODIOL DIACETATE; Metrodiol diacetate; [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; Luto-metrodiol; Ethynodiol diacetate; 3β,17β-Diacetoxy-17α-ethynyl-4-estrene; Ovulen 50; Ethinodiol diacetate; 17a-Ethynyl-4-estren-3b,17-diol diacetate; Ovulen; Cervicundin; Continuin; Metrodiol;

IUPAC Name

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate

Canonical SMILES

CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C

InChI Key

ONKUMRGIYFNPJW-KIEAKMPYSA-N

Boiling Point

461.1ºC at 760 mmHg

Melting Point

128 - 131ºC

Flash Point

221.8ºC

Density

1.14 g/cm³

EC Number

206-044-9

Exact Mass

384.23000

Hazard Statements

Xn: Harmful;

Safety Description

22-36

What is the molecular formula of Ethynodiol diacetate?

The molecular formula of Ethynodiol diacetate is C24H32O4.

What is the molecular weight of Ethynodiol diacetate?

The molecular weight of Ethynodiol diacetate is 384.5 g/mol.

What is the IUPAC Name of Ethynodiol diacetate?

The IUPAC Name of Ethynodiol diacetate is [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.

What is the InChI of Ethynodiol diacetate?

The InChI of Ethynodiol diacetate is InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1.

What is the CAS number of Ethynodiol diacetate?

The CAS number of Ethynodiol diacetate is 297-76-7.

What are some synonyms of Ethynodiol diacetate?

Some synonyms of Ethynodiol diacetate include ETHYNODIOL DIACETATE, Femulen, Continuin, and Etynodiol Acetate.

What is the role of Ethynodiol diacetate?

Ethynodiol diacetate has a role as an estrogen receptor modulator, a contraceptive drug, and a synthetic oral contraceptive.

How does Ethynodiol diacetate function as a progestational hormone?

Ethynodiol diacetate binds to cytoplasmic progesterone receptors in the reproductive system, activates progesterone receptor-mediated gene expression, inhibits luteinizing hormone release, and leads to an inhibition of ovulation.

What are some of the other identifiers of Ethynodiol diacetate?

Some other identifiers of Ethynodiol diacetate include European Community (EC) Number, UNII, ChEMBL ID, and KEGG ID.

What are some of the properties of Ethynodiol diacetate?

Some properties of Ethynodiol diacetate include its molecular weight, InChIKey, Canonical SMILES, Isomeric SMILES, and various other identifiers such as CAS, Lipid Maps ID, and NCI Thesaurus Code.