DX-52-1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23N3O4
Molecular Weight	357.4036
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2[C@H](CO)N3[C@@H](CC2=CC=C1)[C@H]4[C@@H](C[C@@H]([C@@H]3C#N)N4C)C(O)=O

InChI

InChIKey=YGWHMSNGVVTUIT-XZTJDVGNSA-N

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

HIDE SMILES / InChI

Molecular Formula	C19H23N3O4
Molecular Weight	357.4036
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:14:04 GMT 2025` Edited by `admin` on `Mon Mar 31 18:14:04 GMT 2025`
Record UNII	64T9QZ8N2Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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)-

Preferred Name

English

DX-52-1

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90914602