Metabolite BIBR1151/M324
- Name
- BIBR1151/M324
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- K37YZW4JU4
- CAS number
- Not Available
- Weight
- Average: 323.356
Monoisotopic: 323.138224807 - Chemical Formula
- C17H17N5O2
- InChI Key
- PLWQWQUVUDJPFA-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H17N5O2/c1-22-14-7-4-11(17(23)24)8-13(14)21-15(22)9-20-12-5-2-10(3-6-12)16(18)19/h2-8,20H,9H2,1H3,(H3,18,19)(H,23,24)
- IUPAC Name
- 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid
- SMILES
- CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(O)=O
- Reactions
- Dabigatran etexilate BIBR0951/M2
- BIBR0951/M2 Dabigatran
- Dabigatran Dabigatran M400
- Dabigatran BIBR1151/M324
- BIBR1151/M324 Dabigatran M500
- Dabigatran Dabigatran M486
- Dabigatran M486 Dabigatran M369
- Dabigatran M369 Dabigatran M325
- Dabigatran M486 Dabigatran M369
- Dabigatran Dabigatran M355
- Dabigatran M355 Dabigatran M369
- Dabigatran M369 Dabigatran M325
- Dabigatran M355 Dabigatran M354
- Dabigatran M354 Dabigatran M396
- Dabigatran M355 Dabigatran M369
- Dabigatran Dabigatran 1-O-acylglucuronide metabolite
- Dabigatran 1-O-acylglucuronide metabolite Dabigatran 2-O-acylglucuronide metabolite
- Dabigatran 1-O-acylglucuronide metabolite Dabigatran 3-O-acylglucuronide metabolite
- Dabigatran 1-O-acylglucuronide metabolite Dabigatran 4-O-acylglucuronide metabolite
- Dabigatran 1-O-acylglucuronide metabolite Dabigatran M690
- Dabigatran 1-O-acylglucuronide metabolite Dabigatran M486-2
- Dabigatran 1-O-acylglucuronide metabolite Dabigatran M636
- BIBR0951/M2 Dabigatran
- Dabigatran etexilate BIBR0951/M2
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 174.00044 predictedDeepCCS 1.0 (2019) [M+H]+ 176.35844 predictedDeepCCS 1.0 (2019) [M+Na]+ 182.85704 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.192 mg/mL ALOGPS logP 1.56 ALOGPS logP -0.31 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 3.87 Chemaxon pKa (Strongest Basic) 12.52 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 117.02 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 102.93 m3·mol-1 Chemaxon Polarizability 35.26 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon