21-Deoxyprednisolone 11-nitrate 17-propionate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H31NO7
Molecular Weight	445.5054
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-Deoxyprednisolone 11-nitrate 17-propionate

Structure Search

SMILES

CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)O[N+]([O-])=O)C(C)=O

InChI

InChIKey=AKRDEILXKSRTAT-GNSLJVCWSA-N

InChI=1S/C24H31NO7/c1-5-20(28)31-24(14(2)26)11-9-18-17-7-6-15-12-16(27)8-10-22(15,3)21(17)19(32-25(29)30)13-23(18,24)4/h8,10,12,17-19,21H,5-7,9,11,13H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H31NO7
Molecular Weight	445.5054
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:54:50 GMT 2025` Edited by `admin` on `Wed Apr 02 19:54:50 GMT 2025`
Record UNII	G58AG9LV5D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(17-Acetyl-10,13-dimethyl-11-nitrooxy-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)propanoate

Preferred Name

English

21-Deoxyprednisolone 11-nitrate 17-propionate

Common Name

English

17-Acetyl-10,13-dimethyl-11-nitrooxy-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate, [(8S,9S,10R,11S,13S,14S,17R)-

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 11?,17-dihydroxy-, 11-nitrate 17-propionate

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 11-(nitrooxy)-17-(1-oxopropoxy)-, (11?)-

Systematic Name

English

[(8S,9S,10R,11S,13S,14S,17R)-17-Acetyl-10,13-dimethyl-11-nitrooxy-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

21116658

Created by admin on Wed Apr 02 19:54:50 GMT 2025 , Edited by admin on Wed Apr 02 19:54:50 GMT 2025

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CAS

23074-99-9

Created by admin on Wed Apr 02 19:54:50 GMT 2025 , Edited by admin on Wed Apr 02 19:54:50 GMT 2025

PRIMARY

FDA UNII

G58AG9LV5D

Created by admin on Wed Apr 02 19:54:50 GMT 2025 , Edited by admin on Wed Apr 02 19:54:50 GMT 2025

PRIMARY

EPA CompTox

DTXSID70945752

Created by admin on Wed Apr 02 19:54:50 GMT 2025 , Edited by admin on Wed Apr 02 19:54:50 GMT 2025

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