SUMANIROLE MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H13N3O.C4H4O4
Molecular Weight	319.3126
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23

InChI

InChIKey=VOJRMYBBPKNLLI-ORHWHDKWSA-N

InChI=1S/C11H13N3O.C4H4O4/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9;5-3(6)1-2-4(7)8/h2-4,8,12H,5-6H2,1H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-/t8-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C11H13N3O
Molecular Weight	203.2404
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:16:17 UTC 2023` Edited by `admin` on `Sat Dec 16 05:16:17 UTC 2023`
Record UNII	2OI87T3R1B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SUMANIROLE MALEATE

Common Name

English

PNU-95666E

Code

English

5,6-DIHYDRO-5-(METHYLAMINO)-4H-IMIDAZO(4,5,1-IJ)QUINOLIN-2(1H)-ONE, R- MALEATE

Common Name

English

R)-5,6-DIHYDRO-5-(METHYLAMINO)-4H-IMIDAZO(4,5,1-IJ)QUINOLIN-2(1H)-ONE (2Z)-2-BUTENEDIOATE

Common Name

English

U-95666E

Code

English

Code System Code Type Description

DRUG BANK

DBSALT002019