ISOESTRADIOL 3-BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28O3
Molecular Weight	376.488
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@]23[H])C=C(OC(=O)C5=CC=CC=C5)C=C4

InChI

InChIKey=UYIFTLBWAOGQBI-FCRIMTMASA-N

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21+,22+,23+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H28O3
Molecular Weight	376.488
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 `Sat Dec 16 10:03:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:03:02 GMT 2023`
Record UNII	UBD6G1V336
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOESTRADIOL 3-BENZOATE

Common Name

English

8-ISOESTRADIOL, 3-BENZOATE

Common Name

English

(8.ALPHA.,17.BETA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-BENZOATE

Systematic Name

English

ISOESTRADIOL 3-BENZOATE [MI]

Common Name

English

8.ALPHA.-ESTRADIOL, 3-BENZOATE

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-BENZOATE, (8.ALPHA.,17.BETA.)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m6482

Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023

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Merck Index

CAS

6011-90-1

Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023

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PUBCHEM

12313393

Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023

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FDA UNII

UBD6G1V336

Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023

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