BETAMETHASONE ACIBUTATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H37FO7
Molecular Weight	504.5876
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BETAMETHASONE ACIBUTATE

Structure Search

SMILES

[H][C@@]12C[C@H](C)[C@](OC(=O)C(C)C)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=KGNVBESWWSSQAN-QEVRMTOFSA-N

InChI=1S/C28H37FO7/c1-15(2)24(34)36-28(23(33)14-35-17(4)30)16(3)11-21-20-8-7-18-12-19(31)9-10-25(18,5)27(20,29)22(32)13-26(21,28)6/h9-10,12,15-16,20-22,32H,7-8,11,13-14H2,1-6H3/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H37FO7
Molecular Weight	504.5876
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:08 UTC 2023` Edited by `admin` on `Fri Dec 15 15:43:08 UTC 2023`
Record UNII	90I96070LY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAMETHASONE ACIBUTATE

Official Name

English

9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE 17-ISOBUTYRATE

Common Name

English

betamethasone acibutate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C521

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

Code System Code Type Description

EVMPD

SUB05798MIG

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

PRIMARY

PUBCHEM

111080

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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SMS_ID

100000085849

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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EPA CompTox

DTXSID3022669

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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CHEBI

50894

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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ECHA (EC/EINECS)

226-885-5

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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ChEMBL

CHEMBL1697784

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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FDA UNII

90I96070LY

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

PRIMARY

CAS

5534-05-4

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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DRUG CENTRAL

350

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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INN

3158

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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NCI_THESAURUS

C74405

Created by admin on Fri Dec 15 15:43:08 UTC 2023 , Edited by admin on Fri Dec 15 15:43:08 UTC 2023

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