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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H28F3N6O3
Molecular Weight 541.5448
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of CHF-6333 CATION

SMILES

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=IHTRPSMRGYWUIM-HSZRJFAPSA-O
InChI=1S/C27H27F3N6O3/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/h6-10,13-14,23H,11-12H2,1-5H3/p+1/t23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CHF-6333 CATION
Common Name 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 ION
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)-
Systematic Name English
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
Systematic Name 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
Systematic Name English
Code System Code Type Description
CAS
1613620-10-2
Created by admin on Sat Dec 16 13:28:38 GMT 2023 , Edited by admin on Sat Dec 16 13:28:38 GMT 2023
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PUBCHEM
76285164
Created by admin on Sat Dec 16 13:28:38 GMT 2023 , Edited by admin on Sat Dec 16 13:28:38 GMT 2023
PRIMARY
FDA UNII
00174624E2
Created by admin on Sat Dec 16 13:28:38 GMT 2023 , Edited by admin on Sat Dec 16 13:28:38 GMT 2023
PRIMARY