UCSF

ZINC03876023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 28 No

Popular Name: Ethynodiol diacetate Ethynodiol diacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 297-76-7 , [297-76-7]

Other Names:

(17 alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, mixt. with (3 beta,17 alpha)-19-norpregn-4-en-20-yne-3,17-diol diacetate; (17alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, mixt. with (3beta,17alpha)-19-norpregn-4-en-20-yne-3,17-diol diace

(3 beta, 17 alpha)-19-Norpregn-4-en-20-yne-3,17 diol Diacetate

(3 beta, 17 alpha)-19-Norpregn-4-en-20-yne-3,17 diol Diacetate; (3-beta,17-alpha)-19-Norpregn-4-en-20-yne-3,17-diol diacetate; (3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate; 17-alpha-Ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol diacetate; 17-

(3-beta,17-alpha)-19-Norpregn-4-en-20-yne-3,17-diol diacetate

(3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate

17-alpha-Ethynyl-19-nor-delta(sup 4)-androstene-3,17-diacetoxy; 19-Nor-17-alpha-pregn-4-en-20-yne-3,17-beta-diol, diacetate; 19-Nor-17-alpha-pregn-4-en-20-yne-3,17-diol, diacetate; C24H32O4; Ethynodiol Diacetate, (17 alpha)-Isomer; LS-97405

17-alpha-Ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol diacetate

17-alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate

17-alpha-Ethynyl-4-estrene-3-beta,17-beta-diol diacetate

17-alpha-Ethynylestr-4-ene-3-beta,17-beta-diol acetate

17a-Ethynyl-4-estren-3b,17-diol diacetate

17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate

17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate; 17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate; 17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate; 17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate; 19-Nor-17alpha-pregn-4-en-20-

17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate

17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate

17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate

17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate

19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol diacetate

19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol, diacetate

19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol diacetate

19-norpregn-4-en-20-yn-3beta,17alpha-diol, diacetate

19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3beta,17alpha)-

297-76-7

297-76-7; C12724; Ethynodiol diacetate

297-76-7; D01294; Ethynodiol diacetate (JAN/USP)

3-beta, 17-beta-Diacetoxy-17-alpha-ethynyl-4-oestrene

3-beta,17-beta-Diacetoxy-19-nor-17-alpha-pregn-4-en-20-yne

3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene

3beta,17beta-Diacetoxy-17alpha-ethynyl-4-estrene

3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne

8080 C. B

8080 C. B.

AB00513958

AC1L1SPA

BPBio1_000832

BSPBio_000756

C12724

C24H32O4.C21H26O2; ETHYNODIOL DIACETATE; MESTRANOL; LS-178615; OVULEN; OVULEN-21; OVULEN-28

CCRIS 305

Cervicundin

CHEBI:31580

CHEMBL1200624

CID9270

Continuin

D01294

DAP000856

DB00823

E7263_SIGMA

EINECS 206-044-9

Ethinodiol Diacetate

Ethinodiol Diacetate;Ethynodiol;Etynodiol

Ethyndiol Diacetate

Ethynodiol

Ethynodiol (diacetate)

Ethynodiol Diacetate

Ethynodiol Diacetate (FDA

Ethynodiol diacetate (JAN/USP)

Ethynodiol diacetate [Progestins]

Ethynodiol diacetate [USAN]

Ethynodioldiacetate

Etynodiol

Etynodiol Acetate

Etynodiol di(acetate)

Femulen

HMS1570F18

INN); Etynodiol Acetate (JAN)

LMST02030124

LS-7392

Luteonorm

Luto-Metrodiol

Metrodiol

Metrodiol Diacetate

Metrulen

MFCD00083326

MLS000028661

MolPort-003-941-317

N/A

NCGC00166138-01

NCGC00166138-02

Ovulen

Ovulen 50

Prestwick0_000908

Prestwick1_000908

Prestwick2_000908

Prestwick3_000908

SC 11800

SC-11800

SMR000058858

SPBio_002955

UNII-62H10A1236

USAN

USAN); Etynodiol (BAN

USP

USP); Etynodiol (BAN

ZINC03876023

[(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

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 13.58 -12.82 0 4 0 53 384.516 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.97e-03 g/l DrugBank-approved
Patent Database Links EP1535618; EP1857111; EP1862167; US2007185068; US2007189977; US2007196323; US2007196452; US2007196453; US2007212392 ChEBI
Target Estrogen/progestogen Receptor Selleck Chemicals

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )