Dabigatran structure, CAS 211914-51-1

Dabigatran

CAS Number211914-51-1

SynonymsDabigatran; BIBR-953; BIBR 953ZW

Molecular FormulaC25H25N7O3

Molecular Weight471.511

Purity

Density1.4±0.1 g/cm3

Boiling Point797.1±70.0 °C at 760 mmHg

Melting Point268-272ºC

Flash Point

AppearanceYellow brown solid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1169222 Purity:
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Quality Control of [ 211914-51-1 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number211914-51-1
Catalog No.2A-1169222
Chinese Name达比加群
SynonymsDabigatran; BIBR-953; BIBR 953ZW
Molecular FormulaC25H25N7O3
Molecular Weight471.511
Density1.4±0.1 g/cm3
Boiling Point797.1±70.0 °C at 760 mmHg
Melting Point268-272ºC
AppearanceYellow brown solid
Storage ConditionRefrigerator, Under Inert Atmosphere
ApplicationDabigatran (BIB-953; BIBR 953ZW) is a reversible, highly active direct thrombin inhibitor (DTI) with a Ki of 4.5 nM.
PubChem ID9372790
SMILESCn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21
InChIInChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
InChI KeyYBSJFWOBGCMAKL-UHFFFAOYSA-N
Transport InfoProduct name: Dabigatran (BIBR 953)
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