CHF-6333

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H28F3N6O3.CH3O3S
Molecular Weight	636.643
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS([O-])(=O)=O.COC(=O)C1=C(C)N(C2=NNC(=O)N2[C@@H]1C3=CC=C(C=C3CC[N+](C)(C)C)C#N)C4=CC=CC(=C4)C(F)(F)F

InChI

InChIKey=PTLGCXRUDBXISG-GNAFDRTKSA-N

InChI=1S/C27H27F3N6O3.CH4O3S/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30;1-5(2,3)4/h6-10,13-14,23H,11-12H2,1-5H3;1H3,(H,2,3,4)/t23-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	CH3O3S
Molecular Weight	95.098
Charge	-1
Count

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

Molecular Formula	C27H28F3N6O3
Molecular Weight	541.5448
Charge	1
Count

Stereochemistry	EPIMERIC
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 13:28:41 GMT 2023` Edited by `admin` on `Sat Dec 16 13:28:41 GMT 2023`
Record UNII	Q0656F336Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHF-6333

Code

English

(R)-2-(5-CYANO-2-(6-(METHOXYCARBONYL)-7-METHYL-3-OXO-8-(3-(TRIFLUOROMETHYL)PHENYL)-2,3,5,8-TETRAHYDRO-(1,2,4)TRIAZOLO(4,3-A)PYRIMIDIN-5-YL)PHENYL)-N,N,N-TRIMETHYLETHANAMINIUM METHANESULFONATE DEHYDRATE

Systematic Name

English

GPLSCD01

Code

English

CHF-6333 MESYLATE

Code

English

(R)-2-(5-CYANO-2-(6-(METHOXYCARBONYL)-7-METHYL-3-OXO-8-(3-(TRIFLUOROMETHYL)PHENYL)-2,3,5,8-TETRAHYDRO-(1,2,4)TRIAZOLO(4,3-A)PYRIMIDIN-5-YL)PHENYL)-N,N,N-TRIMETHYLETHANAMINIUM METHANESULFONATE

Common Name

English

BENZENEETHANAMINIUM, 5-CYANO-N,N,N-TRIMETHYL-2-((5R)-2,3,5,8-TETRAHYDRO-6-(METHOXYCARBONYL)-7-METHYL-3-OXO-8-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-TRIAZOLO(4,3-A)PYRIMIDIN-5-YL)-, METHANESULFONATE (1:1)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

551216