11.BETA.-CHLOROMETHYLESTRADIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H25ClO2
Molecular Weight	320.854
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11.BETA.-CHLOROMETHYLESTRADIOL

Structure Search

SMILES

C[C@]12C[C@H](CCl)[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@H]2O

InChI

InChIKey=CADGCTOWBAPSFQ-OQFXVXKWSA-N

InChI=1S/C19H25ClO2/c1-19-9-12(10-20)18-14-5-3-13(21)8-11(14)2-4-15(18)16(19)6-7-17(19)22/h3,5,8,12,15-18,21-22H,2,4,6-7,9-10H2,1H3/t12-,15+,16+,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H25ClO2
Molecular Weight	320.854
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:55:23 GMT 2023` Edited by `admin` on `Sat Dec 16 18:55:23 GMT 2023`
Record UNII	BRP4DW4SEE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11.BETA.-CHLOROMETHYLESTRADIOL

Common Name

English

ORG-4333

Code

English

11.BETA.-CME2

Common Name

English

(11.BETA.,17.BETA.)-11-(CHLOROMETHYL)ESTRA-1,3,5(10)-TRIENE-3,17-DIOL

Systematic Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 11-(CHLOROMETHYL)-, (11.BETA.,17.BETA.)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40992450