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Substance Name: N-Acetyl-L-cysteine, compound with ethane-1,2-diamine (1:1), mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate)
RN: 59426-40-3
InChIKey: POHTWGMJQKLNIM-INZIHYEWSA-N

Molecular Formula

  • C9-H10-N4-O4.C5-H9-N-O3-S.C2-H8-N2

Molecular Weight

  • 461.4973
 
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Names and Synonyms

Synonym

  • EINECS 261-755-1

Systematic Name

  • N-Acetyl-L-cysteine, compound with ethane-1,2-diamine (1:1), mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate)

Registry Numbers

CAS Registry Number

  • 59426-40-3

System Generated Number

  • 0059426403

Molecular Formulas

Molecular Formula

  • C9-H10-N4-O4.C5-H9-N-O3-S.C2-H8-N2

Molecular Formula Fragments

  • C2-H8-N2
  • C5-H9-N-O3-S
  • C9-H10-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10N4O4.C5H9NO3S.C2H8N2/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-3(7)6-4(2-10)5(8)9;3-1-2-4/h4H,3H2,1-2H3,(H,14,15);4,10H,2H2,1H3,(H,6,7)(H,8,9);1-4H2/t;4-;/m.0./s1

InChIKey

POHTWGMJQKLNIM-INZIHYEWSA-N

Smiles

CC(=O)N[C@@H](CS)C(=O)O.Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)O.C(CN)N