BOCIDELPAR SULFATE

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 Search

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	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:39:44 GMT 2023` Edited by `admin` on `Sat Dec 16 13:39:44 GMT 2023`
Record UNII	LWF2PR5DHD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOCIDELPAR SULFATE

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