(5R,7R,8S,10R,11R,11aS)-7-Cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-iminoazepino[1,2-b]isoquinoline-10-carboxylic acid

CAS Registry Number®

96251-59-1

CAS Name

(5R,7R,8S,10R,11R,11aS)-7-Cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-iminoazepino[1,2-b]isoquinoline-10-carboxylic acid

Molecular Formula

C19H23N3O4

Molecular Mass

357.40

Cite this Page

(5R,7R,8S,10R,11R,11aS)-7-Cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-iminoazepino[1,2-b]isoquinoline-10-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96251-59-1 (retrieved 2024-12-23) (CAS RN: 96251-59-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H23N3O4/c1-21-12-7-11(19(24)25)18(21)13-6-10-4-3-5-16(26-2)17(10)15(9-23)22(13)14(12)8-20/h3-5,11-15,18,23H,6-7,9H2,1-2H3,(H,24,25)/t11-,12+,13+,14+,15+,18-/m1/s1

InChIKey

InChIKey=YGWHMSNGVVTUIT-XZTJDVGNSA-N

SMILES

C(O)[C@@H]1N2[C@]([C@]3([C@H](C(O)=O)C[C@@]([C@@H]2C#N)(N3C)[H])[H])(CC=4C1=C(OC)C=CC4)[H]

Canonical SMILES

N#CC1N2C(C=3C(OC)=CC=CC3CC2C4N(C)C1CC4C(=O)O)CO

Other Names for this Substance

  • 8,11-Iminoazepino[1,2-b]isoquinoline-10-carboxylic acid, 7-cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-, (5R,7R,8S,10R,11R,11aS)-
  • 8,11-Iminoazepino[1,2-b]isoquinoline-10-carboxylic acid, 7-cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-, [5R-(5α,7β,8β,10β,11β,11aβ)]-
  • (5R,7R,8S,10R,11R,11aS)-7-Cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-iminoazepino[1,2-b]isoquinoline-10-carboxylic acid
  • Antibiotic DX 52-1
  • DX 52-1

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Deleted or Replaced CAS Registry Numbers

158514-69-3

CAS INSIGHTSTM
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