2-[[2-(3-Carboxypropyl)-1-methyl-1H-benzimidazol-5-yl](2-hydroxyethyl)amino]ethyl 5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoate

CAS Registry Number®

1391052-61-1

CAS Name

2-[[2-(3-Carboxypropyl)-1-methyl-1H-benzimidazol-5-yl](2-hydroxyethyl)amino]ethyl 5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoate

Molecular Formula

C32H44N6O7

Molecular Mass

624.73

Cite this Page

2-[[2-(3-Carboxypropyl)-1-methyl-1H-benzimidazol-5-yl](2-hydroxyethyl)amino]ethyl 5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1391052-61-1 (retrieved 2024-10-06) (CAS RN: 1391052-61-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H44N6O7/c1-35-28-12-10-24(22-26(28)33-29(35)5-3-7-31(42)43)38(15-19-41)16-20-45-32(44)8-4-6-30-34-25-21-23(9-11-27(25)36(30)2)37(13-17-39)14-18-40/h9-12,21-22,39-41H,3-8,13-20H2,1-2H3,(H,42,43)

InChIKey

InChIKey=VHWAIJZTTMEEBD-UHFFFAOYSA-N

SMILES

CN1C=2C(=CC(N(CCOC(CCCC3=NC=4C(N3C)=CC=C(N(CCO)CCO)C4)=O)CCO)=CC2)N=C1CCCC(O)=O

Canonical SMILES

O=C(O)CCCC1=NC=2C=C(C=CC2N1C)N(CCO)CCOC(=O)CCCC3=NC=4C=C(C=CC4N3C)N(CCO)CCO

Other Names for this Substance

  • 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, 2-[[2-(3-carboxypropyl)-1-methyl-1H-benzimidazol-5-yl](2-hydroxyethyl)amino]ethyl ester
  • 2-[[2-(3-Carboxypropyl)-1-methyl-1H-benzimidazol-5-yl](2-hydroxyethyl)amino]ethyl 5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoate

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox