Products 318245-80-6

CAS 318245-80-6 is the registry number for Melagatran monohydrate. Offered by: TargetMol. Available pack sizes: 25mg, 50mg, 100mg.

Melagatran monohydrate
TargetMol
  • size: 25mg, 50mg, 100mg
  • Variants: 3
from 9789.65
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Structural formula: {0} (CAS {1})

2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid;hydrate (CAS 318245-80-6) is a chemical compound with the molecular formula C22H33N5O5 and a molecular weight of 447.5 g/mol. IUPAC name: 2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid;hydrate. InChIKey: RWIOMIFNKVTIAA-JUOYHRLASA-N.

Identity
Molecular formulaC22H33N5O5
Molecular weight447.5 g/mol
IUPAC name2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid;hydrate
InChIKeyRWIOMIFNKVTIAA-JUOYHRLASA-N
SMILESC1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O.O

Computed by PubChem (NCBI)

Synonyms: Melagatran monohydrate, orb1740024
Isomers (same molecular formula)
ethyl 4-[5-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate C22H33N5O5
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide C22H33N5O5
(2S)-6-amino-2-[[2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]hexanoic acid C22H33N5O5