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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31ClO7S
Molecular Weight 487.006
Optical Activity ( + )
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICOMETHASONE 21-MESYLATE

SMILES

[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COS(C)(=O)=O)[C@@]1(C)C[C@H](O)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=RAUCKOZDNRZODA-HOGMHMTRSA-N
InChI=1S/C23H31ClO7S/c1-13-9-17-16-6-5-14-10-15(25)7-8-20(14,2)22(16,24)18(26)11-21(17,3)23(13,28)19(27)12-31-32(4,29)30/h7-8,10,13,16-18,26,28H,5-6,9,11-12H2,1-4H3/t13-,16+,17+,18+,20+,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H31ClO7S
Molecular Weight 487.006
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 18:56:24 UTC 2023
Edited
by admin
on Sat Dec 16 18:56:24 UTC 2023
Record UNII
CX74PZ3SZ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ICOMETHASONE 21-MESYLATE
Common Name English
9-CHLORO-11.BETA.,17-DIHYDROXY-16.ALPHA.-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-21-YL METHANESULFONATE
Systematic Name English
MOMETASONE FUROATE IMPURITY N [EP IMPURITY]
Common Name English
(11.BETA.,16.ALPHA.)-9-CHLORO-11,17-DIHYDROXY-16-METHYL-21-((METHYLSULFONYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-CHLORO-11,17-DIHYDROXY-16-METHYL-21-((METHYLSULFONYL)OXY)-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
352315-75-4
Created by admin on Sat Dec 16 18:56:24 UTC 2023 , Edited by admin on Sat Dec 16 18:56:24 UTC 2023
PRIMARY
FDA UNII
CX74PZ3SZ2
Created by admin on Sat Dec 16 18:56:24 UTC 2023 , Edited by admin on Sat Dec 16 18:56:24 UTC 2023
PRIMARY
PUBCHEM
131668049
Created by admin on Sat Dec 16 18:56:24 UTC 2023 , Edited by admin on Sat Dec 16 18:56:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP