articaine acid-O-glucuronide (Q27288146)

UNII-RJ9HL43V8V (English)

14 October 2016

chemical formula

C₁₈H₂₆N₂O₉S

1 reference

UNII-RJ9HL43V8V (English)

20 November 2016

canonical SMILES

CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O

1 reference

UNII-RJ9HL43V8V (English)

20 November 2016

isomeric SMILES

CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

1 reference

UNII-RJ9HL43V8V (English)

InChI=1S/C18H26N2O9S/c1-4-5-19-8(3)15(24)20-9-7(2)6-30-14(9)17(27)29-18-12(23)10(21)11(22)13(28-18)16(25)26/h6,8,10-13,18-19,21-23H,4-5H2,1-3H3,(H,20,24)(H,25,26)/t8?,10-,11-,12+,13-,18-/m0/s1

20 November 2016

Identifiers

InChI

1 reference

UNII-RJ9HL43V8V (English)

AMLDUGXSDKMYIT-RLGMJRIWSA-N

20 November 2016

InChIKey

1 reference

UNII-RJ9HL43V8V (English)

20 November 2016

1 reference

1-O-({4-Methyl-3-[(N-propylalanyl)amino]-2-thienyl}carbonyl)-beta-D-glucopyranuronic acid (English)

20 November 2016

2 references

UNII-RJ9HL43V8V (English)

matched by identifier from

20 November 2016

InChIKey

AMLDUGXSDKMYIT-RLGMJRIWSA-N

1 reference

2 references

Global Substance Registration System

UNII

RJ9HL43V8V

articaine acid-O-glucuronide (English)