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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H33FO4
Molecular Weight 464.5683
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAFLOCORT ANHYDROUS

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(CC6=C(C2)C=CC=C6)C(=O)CO

InChI

InChIKey=IAHHOCLLSLZUNW-LDLSTMIQSA-N
InChI=1S/C29H33FO4/c1-26-10-9-21(32)12-19(26)7-8-22-23-13-20-11-17-5-3-4-6-18(17)14-28(20,25(34)16-31)27(23,2)15-24(33)29(22,26)30/h3-6,9-10,12,20,22-24,31,33H,7-8,11,13-16H2,1-2H3/t20-,22+,23+,24+,26+,27+,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H33FO4
Molecular Weight 464.5683
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 14:59:45 UTC 2023
Edited
by admin
on Fri Dec 15 14:59:45 UTC 2023
Record UNII
1V2C47TW7H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NAFLOCORT ANHYDROUS
Common Name English
2'H-NAPHTHO(2',3':16,17)PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-1',4'-DIHYDRO-11,21-DIHYDROXY-, (11.BETA.,16.BETA.)-
Systematic Name English
SQ-26490 ANHYDROUS
Code English
naflocort [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C521
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
Code System Code Type Description
EVMPD
SUB09124MIG
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
WIKIPEDIA
Naflocort
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
FDA UNII
1V2C47TW7H
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
PUBCHEM
6917657
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID90208194
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
CAS
59497-39-1
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
INN
5442
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
NCI_THESAURUS
C143089
Created by admin on Fri Dec 15 14:59:46 UTC 2023 , Edited by admin on Fri Dec 15 14:59:46 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY