ESTRADIOL BENZOATE

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NCATS

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 of ESTRADIOL BENZOATE

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(OC(=O)C5=CC=CC=C5)C=C4CC[C@@]23[H]

InChI

InChIKey=UYIFTLBWAOGQBI-BZDYCCQFSA-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 `Fri Dec 15 15:16:09 UTC 2023` Edited by `admin` on `Fri Dec 15 15:16:09 UTC 2023`
Record UNII	1S4CJB5ZGN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRADIOL BENZOATE

Official Name

English

estradiol benzoate [INN]

Common Name

English

ESTRADIOL BENZOATE [GREEN BOOK]

Common Name

English

ESTRADIOL BENZOATE [MART.]

Common Name

English

ESTRADIOL BENZOATE [USP-RS]

Common Name

English

OESTRADIOL BENZOATE

Common Name

English

ESTRADIOL BENZOATE [USP IMPURITY]

Common Name

English

ESTRADIOL 3-BENZOATE [MI]

Common Name

English

NSC-9566

Code

English

ESTRADIOL BENZOATE [JAN]

Common Name

English

Estradiol 3-benzoate

Common Name

English

ESTRADIOL BENZOATE [USP MONOGRAPH]

Common Name

English

Estradiol benzoate [WHO-DD]

Common Name

English

ESTRADIOL BENZOATE [EP MONOGRAPH]

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 522.1940

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

NCI_THESAURUS

C478

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

CFR

21 CFR 522.842

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

CFR

21 CFR 522.2478

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID9022998

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

SMS_ID

100000085434

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

RS_ITEM_NUM

1251000

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

ECHA (EC/EINECS)

200-043-7

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

EVMPD

SUB07243MIG

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

CAS

50-50-0

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

NSC

9566

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

RXCUI

60661

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

RxNorm

PUBCHEM

222757

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

MESH

C074283

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

FDA UNII

1S4CJB5ZGN

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

MERCK INDEX

m5028

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

Merck Index

DAILYMED

1S4CJB5ZGN

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

ChEMBL

CHEMBL282575

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

INN

405

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

CHEBI

77006

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

DRUG BANK

DB13953

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

NCI_THESAURUS

C29769

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

DRUG CENTRAL

1058

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

WIKIPEDIA

Estradiol benzoate

Created by admin on Fri Dec 15 15:16:09 UTC 2023 , Edited by admin on Fri Dec 15 15:16:09 UTC 2023

PRIMARY

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					1S4CJB5ZGN

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					1S4CJB5ZGN

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BASIS OF STRENGTH->SUBSTANCE

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					Y5K0W7P26N

17.BETA.-HYDROXY-4-METHYLESTRA-1,3,5(10)-TRIEN-3-YL BENZOATE

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Amount:


					4TI98Z838E

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Comments:

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Interaction Type:

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Amount:


					4TI98Z838E

ESTRADIOL

IMPURITY -> PARENT

Interaction Type:

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Qualification:

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Amount:


					65W00I5071

.BETA.-ESTRADIOL DIBENZOATE

IMPURITY -> PARENT

Comments:

For the calculation of contents, multiply the peak areas by 0.7

Interaction Type:

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Qualification:

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Amount:


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Interaction Type:

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Amount:


					O636LYL5W8

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IMPURITY -> PARENT

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Qualification:

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Amount:

Related Record Type Details


					4TI98Z838E

ESTRADIOL

ACTIVE MOIETY