A-192621

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H38N2O6
Molecular Weight	558.6646
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCOC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2CC(=O)NC3=C(CC)C=CC=C3CC)C4=CC=C5OCOC5=C4)C(O)=O

InChI

InChIKey=LQEHCKYYIXQEBM-FUKIBTTHSA-N

InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H38N2O6
Molecular Weight	558.6646
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Endothelin and blood pressure regulation in the female rat: studies in normal pregnancy and with nitric oxide synthase inhibition-induced hypertension.	2000	10877991
Endothelins regulate mediator production of rat tissue-cultured mucosal mast cells. Up-regulation of Th1 and inhibition of Th2 cytokines.	2002 May	11994508
Endothelin B receptor blockade inhibits dynamics of cell interactions and communications in melanoma cell progression.	2004 Feb 15	14973117
Differential roles of peripheral and spinal endothelin receptors in the micturition reflex in rats.	2004 Oct	15371886
Endothelin receptor B antagonists decrease glioma cell viability independently of their cognate receptor.	2008 Nov 28	19040731

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:34 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:34 GMT 2023`
Record UNII	5XE882529E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-192621

Common Name

English

3-PYRROLIDINECARBOXYLIC ACID, 4-(1,3-BENZODIOXOL-5-YL)-1-(2-((2,6-DIETHYLPHENYL)AMINO)-2-OXOETHYL)-2-(4-PROPOXYPHENYL)-, (2R,3R,4S)-

Systematic Name

English

A-192621.1

Code

English

3-PYRROLIDINECARBOXYLIC ACID, 4-(1,3-BENZODIOXOL-5-YL)-1-(2-((2,6-DIETHYLPHENYL)AMINO)-2-OXOETHYL)-2-(4-PROPOXYPHENYL)-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.))-

Systematic Name

English

A-192621-1

Code

English

Code System Code Type Description

EPA CompTox

DTXSID701102953

Created by admin on Sat Dec 16 08:39:34 GMT 2023 , Edited by admin on Sat Dec 16 08:39:34 GMT 2023

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PUBCHEM

5310991

Created by admin on Sat Dec 16 08:39:34 GMT 2023 , Edited by admin on Sat Dec 16 08:39:34 GMT 2023

PRIMARY

CAS

195529-54-5

Created by admin on Sat Dec 16 08:39:34 GMT 2023 , Edited by admin on Sat Dec 16 08:39:34 GMT 2023

PRIMARY

FDA UNII

5XE882529E

Created by admin on Sat Dec 16 08:39:34 GMT 2023 , Edited by admin on Sat Dec 16 08:39:34 GMT 2023

PRIMARY

Related Record Type Details


					5XE882529E

A-192621

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