ABIRATERONE ACETATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H33NO2
Molecular Weight	391.5457
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ABIRATERONE ACETATE

Structure Search

SMILES

[H][C@@]12CC=C(C3=CC=CN=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C[C@H](CC[C@]45C)OC(C)=O

InChI

InChIKey=UVIQSJCZCSLXRZ-UBUQANBQSA-N

InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H33NO2
Molecular Weight	391.5457
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 `Fri Dec 15 15:42:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:42:11 UTC 2023`
Record UNII	EM5OCB9YJ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABIRATERONE ACETATE

Official Name

English

ANDROSTA-5,16-DIEN-3-OL, 17-(3-PYRIDINYL)-, ACETATE (ESTER), (3.BETA.)-

Common Name

English

ABIRATERONE ACETATE COMPONENT OF AKEEGA

Brand Name

English

ABIRATERONE ACETATE [MI]

Common Name

English

NSC-748121

Code

English

YONSA

Brand Name

English

Abiraterone acetate [WHO-DD]

Common Name

English

ABIRATERONE ACETATE [MART.]

Common Name

English

ABIRATERONE ACETATE [USP-RS]

Common Name

English

AKEEGA COMPONENT ABIRATERONE ACETATE

Brand Name

English

ZYTIGA

Brand Name

English

NSC-749227

Code

English

ABIRATERONE ACETATE [USP MONOGRAPH]

Common Name

English

CB7630

Code

English

17-(Pyridin-3-yl)androsta-5,16-dien-3β-yl acetate

Systematic Name

English

CB-7630

Code

English

ABIRATERONE (AS ACETATE)

Common Name

English

JNJ-212082

Common Name

English

ABIRATERONE ACETATE [VANDF]

Common Name

English

ABIRATERONE ACETATE [ORANGE BOOK]

Common Name

English

ABIRATERONE ACETATE [USAN]

Common Name

English

ABIRATERONE ACETATE [JAN]

Common Name

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

ZYTIGA (AUTHORIZED: PROSTATIC NEOPLASMS)

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

NCI_THESAURUS

C147923

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

Code System Code Type Description

DRUG BANK

DBSALT001173

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

RS_ITEM_NUM

1000818

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

CHEBI

68639

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

DRUG CENTRAL

4176

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID3049043

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

SMS_ID

100000124155

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

NSC

748121

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

USAN

WW-52

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

NCI_THESAURUS

C68845

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

RXCUI

1100071

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

RxNorm

WIKIPEDIA

Abiraterone acetate

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

EVMPD

SUB31647

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

PUBCHEM

9821849

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL271227

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

MERCK INDEX

m1279

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

Merck Index

CAS

154229-18-2

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

NSC

749227

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

FDA UNII

EM5OCB9YJ6

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

DAILYMED

EM5OCB9YJ6

Created by admin on Fri Dec 15 15:42:11 UTC 2023 , Edited by admin on Fri Dec 15 15:42:11 UTC 2023

PRIMARY

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Qualification:

IC50

Amount:


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Qualification:

FECAL

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IMPURITY -> PARENT

Interaction Type:

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Qualification:

USP

Amount:


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3-DEOXY-3-ACETYL ABIRATERONE-3-ENE

IMPURITY -> PARENT

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IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


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ABIRATERONE ETHYL ETHER

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					S332KQE9PM

.BETA.-EPOXYABIRATERONE ACETATE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


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IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:

Related Record Type Details


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ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC