METHYLPREDNISOLONE 21-SULEPTANIC ACID ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H49NO10S
Molecular Weight	651.808
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYLPREDNISOLONE 21-SULEPTANIC ACID ESTER

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(O)(=O)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=PSCNNGGPKIBAHB-WFVOKNHCSA-N

InChI=1S/C33H49NO10S/c1-21-17-23-24-12-14-33(40,32(24,3)19-26(36)30(23)31(2)13-11-22(35)18-25(21)31)27(37)20-44-29(39)10-8-6-5-7-9-28(38)34(4)15-16-45(41,42)43/h11,13,18,21,23-24,26,30,36,40H,5-10,12,14-17,19-20H2,1-4H3,(H,41,42,43)/t21-,23-,24-,26-,30+,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H49NO10S
Molecular Weight	651.808
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 `Sat Dec 16 11:23:06 UTC 2023` Edited by `admin` on `Sat Dec 16 11:23:06 UTC 2023`
Record UNII	3O5T2NJE2D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLPREDNISOLONE 21-SULEPTANIC ACID ESTER

Common Name

English

METHYLPREDNISOLONE SULEPTANATE FREE ACID

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-6-METHYL-21-((8-(METHYL(2-SULFOETHYL)AMINO)-1,8-DIOXOOCTYL)OXY)-, (6.ALPHA.,11.BETA.)-

Systematic Name

English

Code System Code Type Description

CHEBI

156480