TCV-309

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H34BrN4O4.NO3
Molecular Weight	656.524
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O-][N+]([O-])=O.CCC[N+]1=CC(Br)=CC(=C1)C(=O)N(CCC(=O)NCCOC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChIKey=DVGLBKDNVHDMTD-UHFFFAOYSA-O

InChI=1S/C30H33BrN4O4.NO3/c1-2-15-33-20-25(19-26(31)22-33)29(37)35(27-10-4-3-5-11-27)17-13-28(36)32-14-18-39-30(38)34-16-12-23-8-6-7-9-24(23)21-34;2-1(3)4/h3-11,19-20,22H,2,12-18,21H2,1H3;/q;-1/p+1

HIDE SMILES / InChI

Molecular Formula	C30H34BrN4O4
Molecular Weight	594.519
Charge	1
Count

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

Molecular Formula	NO3
Molecular Weight	62.0049
Charge	-1
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Platelet activating factor receptor 20 Target ID: CHEMBL250 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23355413	Antagonist 2778

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:41 GMT 2023` Edited by `admin` on `Fri Dec 15 16:30:41 GMT 2023`
Record UNII	SMQ997EQ85
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TCV-309

Common Name

English

PYRIDINIUM, 3-BROMO-5-(((3-((2-(((3,4-DIHYDRO-2(1H)-ISOQUINOLINYL)CARBONYL)OXY)ETHYL)AMINO)-3-OXOPROPYL)PHENYLAMINO)CARBONYL)-1-PROPYL-, NITRATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

SMQ997EQ85

Created by admin on Fri Dec 15 16:30:41 GMT 2023 , Edited by admin on Fri Dec 15 16:30:41 GMT 2023

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EPA CompTox

DTXSID50927157

Created by admin on Fri Dec 15 16:30:41 GMT 2023 , Edited by admin on Fri Dec 15 16:30:41 GMT 2023

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CAS

131311-25-6

Created by admin on Fri Dec 15 16:30:41 GMT 2023 , Edited by admin on Fri Dec 15 16:30:41 GMT 2023

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PUBCHEM

6918166

Created by admin on Fri Dec 15 16:30:41 GMT 2023 , Edited by admin on Fri Dec 15 16:30:41 GMT 2023

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Related Record Type Details


					U32W2WAF3L

TCV-309 CATION

ACTIVE MOIETY