3,8-Diamino-6-[4-[13-carboxy-9,12-bis(carboxymethyl)-1,7-dioxo-2,6,9,12-tetraazatridec-1-yl]phenyl]-5-methylphenanthridinium

CAS Registry Number®

80082-09-3

CAS Name

3,8-Diamino-6-[4-[13-carboxy-9,12-bis(carboxymethyl)-1,7-dioxo-2,6,9,12-tetraazatridec-1-yl]phenyl]-5-methylphenanthridinium

Molecular Formula

C34H40N7O8

Molecular Mass

674.72

Cite this Page

3,8-Diamino-6-[4-[13-carboxy-9,12-bis(carboxymethyl)-1,7-dioxo-2,6,9,12-tetraazatridec-1-yl]phenyl]-5-methylphenanthridinium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80082-09-3 (retrieved 2025-03-31) (CAS RN: 80082-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H39N7O8/c1-39-28-16-24(36)8-10-26(28)25-9-7-23(35)15-27(25)33(39)21-3-5-22(6-4-21)34(49)38-12-2-11-37-29(42)17-40(18-30(43)44)13-14-41(19-31(45)46)20-32(47)48/h3-10,15-16,36H,2,11-14,17-20H2,1H3,(H7,35,37,38,42,43,44,45,46,47,48,49)/p+1

InChIKey

InChIKey=XONAOTJPKINJQH-UHFFFAOYSA-O

SMILES

C[N+]=1C(=C2C(=C3C1C=C(N)C=C3)C=CC(N)=C2)C4=CC=C(C(NCCCNC(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)=O)=O)C=C4

Canonical SMILES

O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCCCNC(=O)C1=CC=C(C=C1)C=2C3=CC(N)=CC=C3C=4C=CC(N)=CC4[N+]2C

Other Names for this Substance

  • Phenanthridinium, 3,8-diamino-6-[4-[13-carboxy-9,12-bis(carboxymethyl)-1,7-dioxo-2,6,9,12-tetraazatridec-1-yl]phenyl]-5-methyl-
  • 3,8-Diamino-6-[4-[13-carboxy-9,12-bis(carboxymethyl)-1,7-dioxo-2,6,9,12-tetraazatridec-1-yl]phenyl]-5-methylphenanthridinium
  • Methidiumpropyl EDTA

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