MIRISETRON MALEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H31N3O2.C4H4O4
Molecular Weight	509.594
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C3=CN(C4CCCCC4)C5=C(C=CC=C5)C3=O

InChI

InChIKey=OQIHDZMOAKTHKW-HNJJWOJJSA-N

InChI=1S/C24H31N3O2.C4H4O4/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-27(17-7-3-2-4-8-17)22-10-6-5-9-20(22)23(21)28;5-3(6)1-2-4(7)8/h5-6,9-10,15-19H,2-4,7-8,11-14H2,1H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,18+,19-;

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	C24H31N3O2
Molecular Weight	393.5218
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:41 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:41 UTC 2023`
Record UNII	0B4615FL1S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MIRISETRON MALEATE

Official Name

English

WAY-SEC-579

Code

English

1-Cyclohexyl-1,4-dihydro-4-oxo-N-1αH,5αH-tropan-3α-yl-3-quinolinecarboxamide maleate (1:1)

Common Name

English

Mirisetron maleate [WHO-DD]

Common Name

English

3-QUINOLINECARBOXAMIDE, 1-CYCLOHEXYL-1,4-DIHYDRO-N-(8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)-4-OXO-, ENDO-, (Z)-2-BUTENEDIOATE (1:1)

Common Name

English

MIRISETRON MALEATE [USAN]

Common Name

English

Code System Code Type Description

MESH

C104926