Nizatidine

C12H21N5O2S2CAS 76963-41-2331.45 g/mol

HNN+OO−HNSSNN
AlkeneNitroSecondary amineSulfideTertiary amine

Properties

Molecular formula
C12H21N5O2S2
Molar mass
331.45 g/mol
Exact mass
331.1137 Da
Melting point
130–132 °C
logP
1.32Crippen estimate
Polar surface area
83.3 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
10

Identifiers

CAS number
76963-41-2
SMILES
CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
InChIKey
SGXXNSQHWDMGGP-UHFFFAOYSA-N
InChI
InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3

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Names and synonyms

17 names · show all
  • 1,1-Ethenediamine, N′-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N-methyl-2-nitro-
  • 1,1-Ethenediamine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N′-methyl-2-nitro-
  • N′-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N-methyl-2-nitro-1,1-ethenediamine
  • LY 139037
  • Axid
  • Acinon
  • Tazac
  • Bonacid
  • Distaxid
  • Calmaxid
  • ZL 101
  • Nizax
  • Naxidine
  • Nizaxid
  • Cronizat
  • Zanizal
  • Gastrax

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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