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

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H37F3N6O3
Molecular Weight 682.734
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPELCONAZOLE

SMILES

CC1=C(OC[C@@H]2CO[C@](CN3C=NC=N3)(C2)C4=C(F)C=C(F)C=C4)C=CC(=C1)N5CCN(CC5)C6=CC=C(C=C6)C(=O)NC7=CC=C(F)C=C7

InChI

InChIKey=OSAMZQJKSCAOHA-CWRQMEKBSA-N
InChI=1S/C38H37F3N6O3/c1-26-18-33(46-16-14-45(15-17-46)32-9-2-28(3-10-32)37(48)44-31-7-4-29(39)5-8-31)11-13-36(26)49-21-27-20-38(50-22-27,23-47-25-42-24-43-47)34-12-6-30(40)19-35(34)41/h2-13,18-19,24-25,27H,14-17,20-23H2,1H3,(H,44,48)/t27-,38+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OPELCONAZOLE
INN   USAN  
Official Name English
OPELCONAZOLE(INN)
Common Name English
OPELCONAZOLE [USAN]
Common Name English
D-THREO-PENTITOL, 2,5-ANHYDRO-1,3,4-TRIDEOXY-2-C-(2,4-DIFLUOROPHENYL)-4-((4-(4-(4-(((4-FLUOROPHENYL)AMINO)CARBONYL)PHENYL)-1-PIPERAZINYL)-2-METHYLPHENOXY)METHYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
4-(4-(4-(((3R,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)-3-METHYLPHENYL)PIPERAZIN-1-YL)-N-(4-FLUOROPHENYL)BENZAMIDE
Systematic Name English
PC-945
Code English
PC945
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 824121
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C158821
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
PRIMARY
USAN
KL-24
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
PRIMARY
FDA UNII
45LU8Q6ASU
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
PRIMARY
PUBCHEM
121383526
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
PRIMARY
INN
11612
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
PRIMARY INN
CAS
1931946-73-4
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
PRIMARY
SMS_ID
300000032291
Created by admin on Sat Dec 16 18:35:05 UTC 2023 , Edited by admin on Sat Dec 16 18:35:05 UTC 2023
PRIMARY