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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H36FN4O9
Molecular Weight 627.6373
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1-(3-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-6-METHOXY-7-QUINAZOLINYL)OXY)PROPYL)-1-.BETA.-D-GLUCOPYRANURONOSYLPYRROLIDINIUM

SMILES

COC1=C(OCCC[N+]2(CCCC2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C4N=CN=C(OC5=C(F)C6=C(NC(C)=C6)C=C5)C4=C1

InChI

InChIKey=JVJSFWHTACVQLH-NEOPOEGOSA-O
InChI=1S/C31H35FN4O9/c1-16-12-17-19(35-16)6-7-21(24(17)32)44-29-18-13-22(42-2)23(14-20(18)33-15-34-29)43-11-5-10-36(8-3-4-9-36)30-27(39)25(37)26(38)28(45-30)31(40)41/h6-7,12-15,25-28,30,35,37-39H,3-5,8-11H2,1-2H3/p+1/t25-,26-,27+,28-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H36FN4O9
Molecular Weight 627.6373
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
4270FV05PH
Record Status Validated (UNII)
Record Version