Morphocycline

CAS Registry Number®

3098-60-0

CAS Name

Morphocycline

Molecular Formula

C27H33N3O9

Molecular Mass

543.57

Cite this Page

Morphocycline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3098-60-0 (retrieved 2024-11-22) (CAS RN: 3098-60-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-154 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H33N3O9/c1-26(37)13-5-4-6-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-7-9-39-10-8-30/h4-6,14-15,20,31,33-34,37-38H,7-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1

InChIKey

InChIKey=BXWBMZALVNZQBE-IAHYZSEUSA-N

SMILES

O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(NCN3CCOCC3)=O)C1=O)(C[C@]4(C(=C2O)C(=O)C=5C([C@@]4(C)O)=CC=CC5O)[H])[H]

Canonical SMILES

O=C(NCN1CCOCC1)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, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-N-(4-morpholinylmethyl)-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-N-(morpholinomethyl)-1,11-dioxo-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-N-(4-morpholinylmethyl)-1,11-dioxo-, [4S-(4α,4aα,5aα,6β,12aα)]-
  • (4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-N-(4-morpholinylmethyl)-1,11-dioxo-2-naphthacenecarboxamide
  • Morphocycline

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Deleted or Replaced CAS Registry Numbers

97922-57-1, 3968-38-5

CAS INSIGHTSTM
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