3-Bromo-5-[[[3-[[2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]ethyl]amino]-3-oxopropyl]phenylamino]carbonyl]-1-propylpyridinium nitrate (1:1)

CAS Registry Number®

131311-25-6

CAS Name

3-Bromo-5-[[[3-[[2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]ethyl]amino]-3-oxopropyl]phenylamino]carbonyl]-1-propylpyridinium nitrate (1:1)

Molecular Formula

C30H34BrN4O4.NO3

Cite this Page

3-Bromo-5-[[[3-[[2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]ethyl]amino]-3-oxopropyl]phenylamino]carbonyl]-1-propylpyridinium nitrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131311-25-6 (retrieved 2024-11-25) (CAS RN: 131311-25-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H33BrN4O4.NO3/c1-2-15-33-20-25(19-26(31)22-33)29(37)35(27-10-4-3-5-11-27)17-13-28(36)32-14-18-39-30(38)34-16-12-23-8-6-7-9-24(23)21-34;2-1(3)4/h3-11,19-20,22H,2,12-18,21H2,1H3;/q;-1/p+1

InChIKey

InChIKey=DVGLBKDNVHDMTD-UHFFFAOYSA-O

SMILES

N(C(=O)C1=C[N+](CCC)=CC(Br)=C1)(CCC(NCCOC(=O)N2CC=3C(CC2)=CC=CC3)=O)C4=CC=CC=C4.N(=O)(=O)[O-]

Canonical SMILES

O=C(OCCNC(=O)CCN(C(=O)C1=CC(Br)=C[N+](=C1)CCC)C=2C=CC=CC2)N3CC=4C=CC=CC4CC3.O=N(=O)[O-]

Other Names for this Substance

  • Pyridinium, 3-bromo-5-[[[3-[[2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]ethyl]amino]-3-oxopropyl]phenylamino]carbonyl]-1-propyl-, nitrate (1:1)
  • Pyridinium, 3-bromo-5-[[[3-[[2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]ethyl]amino]-3-oxopropyl]phenylamino]carbonyl]-1-propyl-, nitrate
  • 3-Bromo-5-[[[3-[[2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]ethyl]amino]-3-oxopropyl]phenylamino]carbonyl]-1-propylpyridinium nitrate (1:1)
  • TCV 309

CAS INSIGHTSTM
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