Hexobendine

CAS Registry Number®

54-03-5
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CAS Name

Hexobendine

Molecular Formula

C30H44N2O10

Molecular Mass

592.68

Cite this Page

Hexobendine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=54-03-5 (retrieved 2024-04-19) (CAS RN: 54-03-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    76 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3

InChIKey

InChIKey=KRQAMFQCSAJCRH-UHFFFAOYSA-N

SMILES

O(C)C1=C(OC)C=C(C(OCCCN(CCN(CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)C)C)=O)C=C1OC

Canonical SMILES

O=C(OCCCN(C)CCN(C)CCCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C2=CC(OC)=C(OC)C(OC)=C2

Other Names for this Substance

  • Benzoic acid, 3,4,5-trimethoxy-, 1,1′-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]] ester
  • Benzoic acid, 3,4,5-trimethoxy-, diester with 3,3′-[ethylenebis(methylimino)]di-1-propanol
  • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis[(methylimino)-3,1-propanediyl] ester
  • 1-Propanol, 3,3′-[ethylenebis(methylimino)]di-, bis(3,4,5-trimethoxybenzoate) (ester)
  • ST 7090

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Deleted or Replaced CAS Registry Numbers

1089764-12-4

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