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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H40Cl2O6
Molecular Weight 567.541
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MECLORISONE DIBUTYRATE

SMILES

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

InChI

InChIKey=HUXCOHMTWUSXGY-GAPIFECDSA-N
InChI=1S/C30H40Cl2O6/c1-6-8-25(35)37-17-24(34)30(38-26(36)9-7-2)18(3)14-22-21-11-10-19-15-20(33)12-13-27(19,4)29(21,32)23(31)16-28(22,30)5/h12-13,15,18,21-23H,6-11,14,16-17H2,1-5H3/t18-,21+,22+,23+,27+,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H40Cl2O6
Molecular Weight 567.541
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 Fri Dec 15 17:02:19 GMT 2023
Edited
by admin
on Fri Dec 15 17:02:19 GMT 2023
Record UNII
871V0CE38C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MECLORISONE DIBUTYRATE
USAN  
USAN  
Official Name English
9,11β-Dichloro-17,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione dibutyrate
Common Name English
SCH-11572
Code English
SCH 11572
Code English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11-DICHLORO-16-METHYL-17,21-BIS(1-OXOBUTOXY)-, (11.BETA.,16.ALPHA.)-
Common Name English
MECLORISONE DIBUTYRATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C521
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
Code System Code Type Description
MESH
C003656
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
234-132-7
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY
PUBCHEM
68655
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106423
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY
FDA UNII
871V0CE38C
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY
NCI_THESAURUS
C90954
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID80909562
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY
CAS
10549-91-4
Created by admin on Fri Dec 15 17:02:19 GMT 2023 , Edited by admin on Fri Dec 15 17:02:19 GMT 2023
PRIMARY