Niperotidine

CAS Registry Number®

84845-75-0
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CAS Name

Niperotidine

Molecular Formula

C20H26N4O5S

Molecular Mass

434.51

Cite this Page

Niperotidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=84845-75-0 (retrieved 2024-04-19) (CAS RN: 84845-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3

InChIKey

InChIKey=HXRSXEDVVARPHP-UHFFFAOYSA-N

SMILES

C(NC(NCCSCC=1OC(CN(C)C)=CC1)=CN(=O)=O)C=2C=C3C(=CC2)OCO3

Canonical SMILES

O=N(=O)C=C(NCC1=CC=C2OCOC2=C1)NCCSCC=3OC(=CC3)CN(C)C

Other Names for this Substance

  • 1,1-Ethenediamine, N-(1,3-benzodioxol-5-ylmethyl)-N′-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-
  • N-(1,3-Benzodioxol-5-ylmethyl)-N′-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine
  • Niperotidine

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