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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O2
Molecular Weight 286.4085
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLESTRADIOL

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C(C)=C(O)C=C4

InChI

InChIKey=CSHOYPMKTGTOLM-SMYFESCOSA-N
InChI=1S/C19H26O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h5,7,14-16,18,20-21H,3-4,6,8-10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26O2
Molecular Weight 286.4085
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Pharmacological effects of 2- and 4-methyloestradiol as a probe to test the biological importance of 2- and 4-hydroxylation of oestrogens (catecholoestrogen-formation).
1983 Jan
Interactions of methylestrogens with cytoplasmic and nuclear estrogen receptors in rat pituitary gland, hypothalamus and uterus.
1984 Mar 5
Biphasic modulation of pituitary sensitivity to GnRH by oestrogens: the effects of A- and D-ring substitution on LH release in cultured pituitary cells.
1984 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:42:42 GMT 2023
Edited
by admin
on Sat Dec 16 06:42:42 GMT 2023
Record UNII
94DM04YP7A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLESTRADIOL
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL, 4-METHYL-
Systematic Name English
ESTRADIOL, 4-METHYL-
Common Name English
ESTRADIOL HEMIHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 4-METHYL-, (17.BETA.)-
Systematic Name English
4-METHYLESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
Systematic Name English
Code System Code Type Description
CAS
6171-48-8
Created by admin on Sat Dec 16 06:42:42 GMT 2023 , Edited by admin on Sat Dec 16 06:42:42 GMT 2023
PRIMARY
FDA UNII
94DM04YP7A
Created by admin on Sat Dec 16 06:42:42 GMT 2023 , Edited by admin on Sat Dec 16 06:42:42 GMT 2023
PRIMARY
PUBCHEM
66437
Created by admin on Sat Dec 16 06:42:42 GMT 2023 , Edited by admin on Sat Dec 16 06:42:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID20872685
Created by admin on Sat Dec 16 06:42:42 GMT 2023 , Edited by admin on Sat Dec 16 06:42:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP