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Argatroban M1 metabolite
[CAS# 951130-92-0]

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Identification
NameArgatroban M1 metabolite
SynonymsDehydroargatroban;(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
Molecular StructureCAS # 951130-92-0, Argatroban M1 metabolite
Molecular FormulaC23H32N6O5S
Molecular Weight504.60
CAS Registry Number951130-92-0
SMILESC[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2N=CC(=C3)C
Properties
Density1.5±0.1 g/cm3, Calc.*
Index of Refraction1.674, Calc.*
Boiling Point806.6±75.0 °C (760 mmHg), Calc.*
Flash Point441.6±37.1 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH315-H319-H335  Details
Safety StatementsP261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501  Details
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