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

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Identification
Name Argatroban M1 metabolite
Synonyms Dehydroargatroban;(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
Molecular Structure CAS # 951130-92-0, Argatroban M1 metabolite, Dehydroargatroban,(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
Molecular Formula C23H32N6O5S
Molecular Weight 504.60
CAS Registry Number 951130-92-0
SMILES C[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
Density 1.5±0.1 g/cm3, Calc.*
Index of Refraction 1.674, Calc.*
Boiling Point 806.6±75.0 ºC (760 mmHg), Calc.*
Flash Point 441.6±37.1 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H315-H319-H335    Details
Precautionary Statements P261-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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