Products 116482-92-9

CAS 116482-92-9 is the registry number for Alachlor mercapturate. Offered by: HPC Standards. Available pack sizes: 50mg.

Alachlor mercapturate
HPC Standards
  • size: 50mg
  • Variants: 1
from 918.29
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Structural formula: {0} (CAS {1})

(2R)-2-acetamido-3-[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid (CAS 116482-92-9) is a chemical compound with the molecular formula C19H28N2O5S and a molecular weight of 396.5 g/mol. IUPAC name: (2R)-2-acetamido-3-[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid. InChIKey: RFZSQTJRFQHGIJ-INIZCTEOSA-N.

Identity
Molecular formulaC19H28N2O5S
Molecular weight396.5 g/mol
IUPAC name(2R)-2-acetamido-3-[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid
InChIKeyRFZSQTJRFQHGIJ-INIZCTEOSA-N
SMILESCCC1=C(C(=CC=C1)CC)N(COC)C(=O)CSC[C@@H](C(=O)O)NC(=O)C

Computed by PubChem (NCBI)

Synonyms: Alachlormercapturate, Alachlor mercapturate, N-Acetyl-S-{2-[(2,6-diethylphenyl)(methoxymethyl)amino]-2-oxoethyl}-L-cysteine
Isomers (same molecular formula)
1-(1-adamantyl)ethanamine;2-methyl-5-nitrobenzenesulfonic acid C19H28N2O5S
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanylpyrimidin-4-one C19H28N2O5S
(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid C19H28N2O5S
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid C19H28N2O5S
(2R)-2-acetamido-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanylpropanoic acid C19H28N2O5S
3-(2,4-dioxocyclohexyl)propyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate C19H28N2O5S