METITEPINE MALEATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H24N2S2.C4H4O4
Molecular Weight	472.62
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CSC1=CC2=C(SC3=CC=CC=C3CC2N4CCN(C)CC4)C=C1

InChI

InChIKey=IWDBEHWZGDSFHR-BTJKTKAUSA-N

InChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

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	C20H24N2S2
Molecular Weight	356.548
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
5-hydroxytryptamine receptor 1D 17 Target ID: P28221 Gene ID: 3352.0 Gene Symbol: HTR1D Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/8692281	Antagonist 2778
5-hydroxytryptamine receptor 7 15 Target ID: P34969 Gene ID: 3363.0 Gene Symbol: HTR7 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/10889351	Inverse Agonist 80
5-hydroxytryptamine receptor 6 10 Target ID: P50406 Gene ID: 3362.0 Gene Symbol: HTR6 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/10889351	Inverse Agonist 80
Serotonin 2 (5-HT2) receptor 87 Target ID: CHEMBL2095200 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1968846	Antagonist 2778

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:12:29 UTC 2023` Edited by `admin` on `Fri Dec 15 15:12:29 UTC 2023`
Record UNII	LVP2XBC3GA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METITEPINE MALEATE

Common Name

English

METITEPIN MALEATE

Common Name

English

PIPERAZINE, 1-(10,11-DIHYDRO-8-(METHYLTHIO)DIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

PIPERAZINE, 1-(10,11-DIHYDRO-8-(METHYLTHIO)DIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

PIPERAZINE, 1-(10,11-DIHYDRO-8-(METHYLTHIO)DIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, MALEATE (1:1)

Systematic Name

English

METHIOTHEPIN MALEATE

Common Name

English

METITEPINE MALEATE [MI]

Common Name

English

Code System Code Type Description

CHEBI

64202