(Q82902803)

English

2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl hexopyranosiduronic acid

chemical compound

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Statements

type of chemical entity

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chemical compound

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613.2069560880001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₄F₃N₃O₇S

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canonical SMILES

O=C(O)C1OC(OCCN2CCN(CCCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)CC2)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

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Identifiers

InChI=1S/C28H34F3N3O7S/c29-28(30,31)17-6-7-21-19(16-17)34(18-4-1-2-5-20(18)42-21)9-3-8-32-10-12-33(13-11-32)14-15-40-27-24(37)22(35)23(36)25(41-27)26(38)39/h1-2,4-7,16,22-25,27,35-37H,3,8-15H2,(H,38,39)/t22-,23-,24+,25-,27+/m0/s1

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FPAXYGQWHAIDFV-GAYSTUHSSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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matched by identifier from

FPAXYGQWHAIDFV-GAYSTUHSSA-N

DSSTOX compound identifier

DTXCID301356849

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