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, (5R,7S,8S,10R,11R,11AS)-

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 of 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, (5R,7S,8S,10R,11R,11AS)-

Structure Search

SMILES

[H][C@@]12CC3=CC=CC(OC)=C3[C@H](CO)N1[C@H](C#N)[C@@H]4C[C@H]([C@H]2N4C)C(O)=O

InChI

InChIKey=YGWHMSNGVVTUIT-BJXUOIJQSA-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 `Sat Dec 16 10:04:30 GMT 2023` Edited by `admin` on `Sat Dec 16 10:04:30 GMT 2023`
Record UNII	PQQ8L7Z138
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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, (5R,7S,8S,10R,11R,11AS)-

Common Name

English

NSC-607097

Code

English

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,7S,8S,10R,11R,11AS)-

Systematic Name

English

Code System Code Type Description

CAS

497181-30-3