2-Naphthacenecarboxamide, N-[[4-[[(aminoiminomethyl)amino]iminomethyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:2), (4S,4aS,5aS,6S,12aS)-

CAS Registry Number®

13040-98-7

CAS Name

2-Naphthacenecarboxamide, N-[[4-[[(aminoiminomethyl)amino]iminomethyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:2), (4S,4aS,5aS,6S,12aS)-

Molecular Formula

C29H38N8O8.2ClH

Cite this Page

2-Naphthacenecarboxamide, N-[[4-[[(aminoiminomethyl)amino]iminomethyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:2), (4S,4aS,5aS,6S,12aS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13040-98-7 (retrieved 2025-01-03) (CAS RN: 13040-98-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H38N8O8.2ClH/c1-28(44)13-5-4-6-16(38)17(13)21(39)18-14(28)11-15-20(35(2)3)22(40)19(24(42)29(15,45)23(18)41)25(43)33-12-36-7-9-37(10-8-36)27(32)34-26(30)31;;/h4-6,14-15,20,38,40-41,44-45H,7-12H2,1-3H3,(H,33,43)(H5,30,31,32,34);2*1H/t14-,15-,20-,28+,29-;;/m0../s1

InChIKey

InChIKey=SNUNMHCZVZIEMV-KGHBUBBXSA-N

SMILES

O[C@@]12[C@@](C[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@H](N(C)C)C(O)=C(C(NCN5CCN(C(NC(=N)N)=N)CC5)=O)C2=O)[H].Cl

Canonical SMILES

Cl.O=C(NCN1CCN(C(=N)NC(=N)N)CC1)C=2C(=O)C3(O)C(O)=C4C(=O)C=5C(O)=CC=CC5C(O)(C)C4CC3C(C2O)N(C)C

Other Names for this Substance

  • 2-Naphthacenecarboxamide, N-[[4-[[(aminoiminomethyl)amino]iminomethyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:2), (4S,4aS,5aS,6S,12aS)-
  • 2-Naphthacenecarboxamide, N-[[4-(amidinoamidino)-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride
  • 2-Naphthacenecarboxamide, N-[[4-[[(aminoiminomethyl)amino]iminomethyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride, [4S-(4α,4aα,5aα,6β,12aα)]-
  • 2-Naphthacenecarboxamide, N-[[4-[amino[(aminoiminomethyl)imino]methyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride, (4S,4aS,5aS,6S,12aS)-
  • Xanthomycin

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Deleted or Replaced CAS Registry Numbers

1401-85-0, 11119-59-8, 19115-46-9, 51025-86-6

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