5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate (Q27106457)

E3040 sulfate (English)

5 October 2016

chemical formula

C₁₆H₁₇N₃O₄S₂

1 reference

E3040 sulfate (English)

5 October 2016

canonical SMILES

CC1=C(C2=C(C(=C1OS(=O)(=O)O)C)SC(=N2)NC)CC3=CN=CC=C3

1 reference

E3040 sulfate (English)

InChI=1S/C16H17N3O4S2/c1-9-12(7-11-5-4-6-18-8-11)13-15(24-16(17-3)19-13)10(2)14(9)23-25(20,21)22/h4-6,8H,7H2,1-3H3,(H,17,19)(H,20,21,22)

5 October 2016

Identifiers

InChI

1 reference

E3040 sulfate (English)

LPZDTQCWCMPFND-UHFFFAOYSA-N

5 October 2016

InChIKey

2 references

E3040 sulfate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5,7-Dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate (English)

5 October 2016

2 references

E3040 sulfate (English)

matched by identifier from

5 October 2016

InChIKey

LPZDTQCWCMPFND-UHFFFAOYSA-N

ChEBI ID

4734

mapping relation type

2 references

5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H17N3O4S2/c1-9-12(7-11-5-4-6-18-8-11)13-15(24-16(17-3)19-13)10(2)14(9)23-25(20,21)22/h4-6,8H,7H2,1-3H3,(H,17,19)(H,20,21,22)

1 reference

E3040 SULFATE (English)

5 October 2016

1 reference

1 reference