U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27ClF2O3
Molecular Weight 412.898
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HALOCORTOLONE

SMILES

[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](F)[C@@]3(Cl)[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=MBRXSOUHUFBPQC-RFPWEZLHSA-N
InChI=1S/C22H27ClF2O3/c1-11-6-13-14-8-16(24)15-7-12(27)4-5-21(15,3)22(14,23)18(25)9-20(13,2)19(11)17(28)10-26/h4-5,7,11,13-14,16,18-19,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27ClF2O3
Molecular Weight 412.898
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:43:39 GMT 2023
Edited
by admin
on Sat Dec 16 16:43:39 GMT 2023
Record UNII
Z9TL048W82
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HALOCORTOLONE
INN  
INN  
Official Name English
9-CHLORO-6.ALPHA.,11.BETA.-DIFLUORO-21-HYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
halocortolone [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C521
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
Code System Code Type Description
INN
3540
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106353
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID601043241
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
PUBCHEM
20056980
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
EVMPD
SUB07997MIG
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
NCI_THESAURUS
C87232
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
WIKIPEDIA
Halocortolone
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
SMS_ID
100000083921
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
CAS
24320-27-2
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
FDA UNII
Z9TL048W82
Created by admin on Sat Dec 16 16:43:39 GMT 2023 , Edited by admin on Sat Dec 16 16:43:39 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY