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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H31O9S.Na
Molecular Weight 566.595
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREDNISOLONE SODIUM METAZOATE

SMILES

[Na+].[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=RWFZSORKWFPGNE-VDYYWZOJSA-M
InChI=1S/C28H32O9S.Na/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);/q;+1/p-1/t20-,21-,22-,24+,26-,27-,28-;/m0./s1

HIDE SMILES / InChI
Molecular Formula C28H31O9S
Molecular Weight 543.605
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:47 UTC 2023
Edited
by admin
on Fri Dec 15 14:59:47 UTC 2023
Record UNII
D345THM53T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREDNISOLONE SODIUM METAZOATE
USAN  
USAN  
Official Name English
PREDNISOLONE SODIUM METASULFOBENZOATE
Common Name English
Prednisolone Metasulfobenzoate Sodium [WHO-DD]
Common Name English
PREDNISOLONE, 21-M-SULFOBENZOATE SODIUM SALT
Common Name English
PREDNISOLONE SODIUM 21-METASULPHOBENZOATE
Common Name English
ATL-2502
Code English
PREDNISOLONE SODIUM METASULPHOBENZOATE
Common Name English
PREDNISOLONE SODIUM METAZOATE [USAN]
Common Name English
PREDNISOLONE METASULFOBENZOATE SODIUM [MART.]
Common Name English
PREDNISOLONE 21-M-SULFOBENZOATE SODIUM SALT
MI  
Common Name English
SODIUM 3-(((11.BETA.,17-DIHYDROXY-3,20-DIOXOPREGNA-1,4-DIEN-21- YL)OXY)CARBONYL)BENZENESULPHONATE
Common Name English
PREDNISOLONE METASULFOBENZOATE SODIUM
MART.   WHO-DD  
Common Name English
SODIUM 3-(((11.BETA.,17-DIHYDROXY-3,20-DIOXOPREGNA-1,4-DIEN-21- YL)OXY)CARBONYL)BENZENESULFONATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-21-((3-SULFOBENZOYL)OXY)-, SODIUM SALT (1:1), (11.BETA.)-
Common Name English
PREDNISOLONE 21-M-SULFOBENZOATE SODIUM SALT [MI]
Common Name English
(11.BETA.)-11,17-DIHYDROXY-21-((3-SULFOBENZOYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE MONOSODIUM SALT
Common Name English
PREDENEMA
Brand Name English
PREDNISOLONE SODIUM 21-M-SULFOBENZOATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C521
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
Code System Code Type Description
MERCK INDEX
m9111
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY Merck Index
CAS
630-67-1
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID90212211
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
MESH
C013218
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
SMS_ID
100000091240
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
EVMPD
SUB20372
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
RXCUI
268872
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY RxNorm
USAN
WW-76
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
NCI_THESAURUS
C1862
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
FDA UNII
D345THM53T
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
PUBCHEM
23675004
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111103
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
DRUG BANK
DB05340
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
ECHA (EC/EINECS)
211-141-4
Created by admin on Fri Dec 15 14:59:47 UTC 2023 , Edited by admin on Fri Dec 15 14:59:47 UTC 2023
PRIMARY
Related Record Type Details
Structure of SOLUPRED
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of PREDNISOLONE
ACTIVE MOIETY
NIH
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