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212321-78-3

212321-78-3 Structure

212321-78-3 Structure
IdentificationBack Directory
[Name]

Desethyl Dabigatran Etexilate
[CAS]

212321-78-3
[Synonyms]

BIBR 1087
Desethyl Pradaxa
Dabigatran etexilate-2
Dabigatran etexilate Imp.A
Dabigatran Ester Impurity A
Desethyl Dabigatran Etexilate
O-Desethyl Dabigatran Etexilate
Dabigatran etexilate impurity188
Dabigatran Impurity 4 (DABRC-04)
Dabigatran Etexilate O-Desethyl Impurity
BIBR 1087 SE (Desethyl Dabigatran Etexilate)
Desethyl Dabigatran Etexilate/Dabigatram Imp-A
BIBR 1087 SE (Synonyms: Desethyl Dabigatran Etexilate)
3-[[2-[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
N-[[2-[[[4-[[[(Hexyloxy)carbonyl]aMino]iMinoMethyl]phenyl]aMino]Methyl]-1-Methyl-1H-benziMidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine
β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-
N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine
(E)-3-(2-(((4-(N'-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid
Dabigatran Impurity 2/Desethyl Dabigatran Etexilate/N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine
[Molecular Formula]

C32H37N7O5
[MDL Number]

MFCD21363574
[MOL File]

212321-78-3.mol
[Molecular Weight]

599.68
Chemical PropertiesBack Directory
[Melting point ]

113 - 126°C
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

Methanol
[form ]

Solid
[pka]

4.17±0.10(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical small molecule
[InChIKey]

UGEWTLXHMYKLCO-UHFFFAOYSA-N
[SMILES]

[n]1(c2c(nc1CNc4ccc(cc4)\C(=N\[H])\NC(=O)OCCCCCC)cc(cc2)C(=O)N(CCC(=O)O)c3ncccc3)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

A metabolite of Dabigatran Etexilate (D100150).
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