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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C25H27F3N2O3.H2O4S
Molecular Weight 1019.056
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOCIDELPAR SULFATE

SMILES

OS(O)(=O)=O.C[C@H](CCCOC1=C(CN2C(C)=CN=C2C3=CC=C(C=C3)C(F)(F)F)C=CC=C1)CC(O)=O.C[C@H](CCCOC4=C(CN5C(C)=CN=C5C6=CC=C(C=C6)C(F)(F)F)C=CC=C4)CC(O)=O

InChI

InChIKey=FDHGZVONYAISRU-NCTGSHGJSA-N
InChI=1S/2C25H27F3N2O3.H2O4S/c2*1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28;1-5(2,3)4/h2*3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32);(H2,1,2,3,4)/t2*17-;/m11./s1

HIDE SMILES / InChI

Molecular Formula C25H27F3N2O3
Molecular Weight 460.4887
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:18:49 UTC 2023
Edited
by admin
on Thu Jul 06 19:18:49 UTC 2023
Record UNII
LWF2PR5DHD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOCIDELPAR SULFATE
USAN  
Official Name English
HEXANOIC ACID, 3-METHYL-6-(2-((5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOL-1-YL)METHYL)PHENOXY)-, (3R)-, SULFATE (2:1)
Systematic Name English
BOCIDELPAR SULFATE [USAN]
Common Name English
ASP0367 HEMISULFATE
Common Name English
(3R)-3-METHYL-6-(2-((5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOL-1-YL)METHYL)PHENOXY)HEXANOIC ACID HEMISULFATE
Systematic Name English
MA-0211 HEMISULFATE
Code English
ASP-0367 HEMISULFATE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 633018
Created by admin on Thu Jul 06 19:18:49 UTC 2023 , Edited by admin on Thu Jul 06 19:18:49 UTC 2023
Code System Code Type Description
USAN
JK-33
Created by admin on Thu Jul 06 19:18:49 UTC 2023 , Edited by admin on Thu Jul 06 19:18:49 UTC 2023
PRIMARY
FDA UNII
LWF2PR5DHD
Created by admin on Thu Jul 06 19:18:49 UTC 2023 , Edited by admin on Thu Jul 06 19:18:49 UTC 2023
PRIMARY
CAS
2095128-21-3
Created by admin on Thu Jul 06 19:18:49 UTC 2023 , Edited by admin on Thu Jul 06 19:18:49 UTC 2023
PRIMARY
SMS_ID
300000026333
Created by admin on Thu Jul 06 19:18:49 UTC 2023 , Edited by admin on Thu Jul 06 19:18:49 UTC 2023
PRIMARY
NCI_THESAURUS
C186405
Created by admin on Thu Jul 06 19:18:49 UTC 2023 , Edited by admin on Thu Jul 06 19:18:49 UTC 2023
PRIMARY
PUBCHEM
162368455
Created by admin on Thu Jul 06 19:18:49 UTC 2023 , Edited by admin on Thu Jul 06 19:18:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY