COUMARIN 504

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H19NO4
Molecular Weight	313.3478
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COUMARIN 504

Structure Search

SMILES

CCOC(=O)C1=CC2=C(OC1=O)C3=C4N(CCCC4=C2)CCC3

InChI

InChIKey=VMJKUPWQKZFFCX-UHFFFAOYSA-N

InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C18H19NO4
Molecular Weight	313.3478
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:03:30 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:30 GMT 2025`
Record UNII	WM5MO60RUO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

C-314

Preferred Name

English

COUMARIN 504

Common Name

English

NSC-338967

Code

English

1H,5H,11H-(1)BENZOPYRANO(6,7,8-IJ)QUINOLIZINE-10-CARBOXYLIC ACID, 2,3,6,7-TETRAHYDRO-11-OXO-, ETHYL ESTER

Systematic Name

English

COUMARIN 314

Common Name

English

CCRIS-4963

Code

English

Code System Code Type Description

EPA CompTox

DTXSID4069052

Created by admin on Mon Mar 31 23:03:30 GMT 2025 , Edited by admin on Mon Mar 31 23:03:30 GMT 2025

PRIMARY

FDA UNII

WM5MO60RUO

Created by admin on Mon Mar 31 23:03:30 GMT 2025 , Edited by admin on Mon Mar 31 23:03:30 GMT 2025

PRIMARY

ECHA (EC/EINECS)

259-825-1

Created by admin on Mon Mar 31 23:03:30 GMT 2025 , Edited by admin on Mon Mar 31 23:03:30 GMT 2025

PRIMARY

NSC

338967

Created by admin on Mon Mar 31 23:03:30 GMT 2025 , Edited by admin on Mon Mar 31 23:03:30 GMT 2025

PRIMARY

PUBCHEM

72653

Created by admin on Mon Mar 31 23:03:30 GMT 2025 , Edited by admin on Mon Mar 31 23:03:30 GMT 2025

PRIMARY

CHEBI

51940

Created by admin on Mon Mar 31 23:03:30 GMT 2025 , Edited by admin on Mon Mar 31 23:03:30 GMT 2025

PRIMARY

CAS

55804-66-5

Created by admin on Mon Mar 31 23:03:30 GMT 2025 , Edited by admin on Mon Mar 31 23:03:30 GMT 2025

PRIMARY