(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
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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 acidMolecular Formula
C19H23N3O4Molecular Mass
357.40Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
158514-69-3
