6,7-DEHYDRO-23-HYDROXYBUDESONIDE, (23R)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H32O7
Molecular Weight	444.5174
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,7-DEHYDRO-23-HYDROXYBUDESONIDE, (23R)-

Structure Search

SMILES

CC[C@@H](O)C1O[C@@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

InChI

InChIKey=PHOVKEJTNUDLLK-OPDUSQHYSA-N

InChI=1S/C25H32O7/c1-4-17(28)22-31-20-10-16-15-6-5-13-9-14(27)7-8-23(13,2)21(15)18(29)11-24(16,3)25(20,32-22)19(30)12-26/h5-9,15-18,20-22,26,28-29H,4,10-12H2,1-3H3/t15-,16-,17+,18-,20+,21+,22?,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H32O7
Molecular Weight	444.5174
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:17:26 GMT 2025` Edited by `admin` on `Mon Mar 31 22:17:26 GMT 2025`
Record UNII	HA4YB3K9BB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,7-DEHYDRO-23-HYDROXYBUDESONIDE, (23R)-

Preferred Name

English

Code System Code Type Description

FDA UNII

HA4YB3K9BB

Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025

PRIMARY

PUBCHEM

91810697

Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025

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CAS

1453293-94-1

Created by admin on Mon Mar 31 22:17:26 GMT 2025 , Edited by admin on Mon Mar 31 22:17:26 GMT 2025

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Related Record Type Details


					Q3OKS62Q6X

Budesonide

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE

Amount: