N-(4-aminobutyl)dabigatranamide (Q27140366)

dabigatran hapten (English)

7 October 2016

chemical formula

C₂₉H₃₅N₉O₂

1 reference

dabigatran hapten (English)

7 October 2016

canonical SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)NCCCCN)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

1 reference

dabigatran hapten (English)

InChI=1S/C29H35N9O2/c1-37-24-12-9-21(18-23(24)36-26(37)19-35-22-10-7-20(8-11-22)28(31)32)29(40)38(25-6-2-4-15-33-25)17-13-27(39)34-16-5-3-14-30/h2,4,6-12,15,18,35H,3,5,13-14,16-17,19,30H2,1H3,(H3,31,32)(H,34,39)

7 October 2016

Identifiers

InChI

1 reference

dabigatran hapten (English)

YPNOCNAUIHBZMA-UHFFFAOYSA-N

7 October 2016

InChIKey

2 references

dabigatran hapten (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{3-[(4-Aminobutyl)amino]-3-oxopropyl}-2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-N-(2-pyridinyl)-1H-benzimidazole-5-carboxamide (English)

7 October 2016

2 references

dabigatran hapten (English)

matched by identifier from

7 October 2016

InChIKey

YPNOCNAUIHBZMA-UHFFFAOYSA-N

ChEBI ID

73197

mapping relation type

2 references

N-(4-aminobutyl)dabigatranamide (English)