Primary record
Quinocarmycin analog
- CAS
- 96251-59-1
- PubChem CID
- 9863558
- SMILES
- CN1[C@H]2C[C@H]([C@@H]1[C@@H]3CC4=C([C@@H](N3[C@H]2C#N)CO)C(=CC=C4)OC)C(=O)O
- Molecular Formula
- C19H23N3O4
- Molecular Weight
- 357.41
- Exact Mass
- 357.1689
- 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
- YGWHMSNGVVTUIT-XZTJDVGNSA-N
- LogP
- 0.6346
- TPSA
- 97.03
Names and synonyms
- Quinocarmycin analog
- 7-Cyanoquinocarcinol
- DX-52-1
- RefChem:136029
- UNII-64T9QZ8N2Y
- 64T9QZ8N2Y
- CCRIS 9393
- DX 52-1
- DX52-1
- NSC607097
- CID9863558
- NSC 607097
- NSC-607097
- 96251-59-1
- (+)-DX 52-1
- Q27263793
- (1R,2S,10R,12R,13S,15R)-12-Cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),5,7-triene-15-carboxylic acid
- 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
- 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-
- 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)-