SOLUPRED

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H32O9S
Molecular Weight	544.613
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(=O)C3=CC=CC(=C3)S(O)(=O)=O)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=WVKSUFYQOHQCMM-YGZHYJPASA-N

InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H32O9S
Molecular Weight	544.613
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 `Sat Dec 16 08:39:24 UTC 2023` Edited by `admin` on `Sat Dec 16 08:39:24 UTC 2023`
Record UNII	SR3YX73FW2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SOLUPRED

Brand Name

English

PREDNISOLONE METASULFOBENZOATE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-21-((3-SULFOBENZOYL)OXY)-, (11.BETA.)-

Systematic Name

English

Code System Code Type Description

SMS_ID

300000031251