4-CHLOROESTRADIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23ClO2
Molecular Weight	306.827
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4Cl)[C@@H]1CC[C@@H]2O

InChI

InChIKey=QHGRSOANCKBFMK-ZHIYBZGJSA-N

InChI=1S/C18H23ClO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H23ClO2
Molecular Weight	306.827
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:35:22 GMT 2025` Edited by `admin` on `Wed Apr 02 11:35:22 GMT 2025`
Record UNII	N59ZAM9VAA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-CHLORO-17.BETA.-ESTRADIOL

Preferred Name

English

4-CHLOROESTRADIOL

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 4-CHLORO-, (17.BETA.)-

Common Name

English

4-CHLORO-17BETA-ESTRADIOL

Common Name

English

Code System Code Type Description

PUBCHEM

67365

Created by admin on Wed Apr 02 11:35:22 GMT 2025 , Edited by admin on Wed Apr 02 11:35:22 GMT 2025

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EPA CompTox

DTXSID201008526

Created by admin on Wed Apr 02 11:35:22 GMT 2025 , Edited by admin on Wed Apr 02 11:35:22 GMT 2025

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CAS

88847-88-5

Created by admin on Wed Apr 02 11:35:22 GMT 2025 , Edited by admin on Wed Apr 02 11:35:22 GMT 2025

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FDA UNII

N59ZAM9VAA

Created by admin on Wed Apr 02 11:35:22 GMT 2025 , Edited by admin on Wed Apr 02 11:35:22 GMT 2025

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