J-104132

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H33NO7
Molecular Weight	531.5962
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC1=CC=C2[C@@H]([C@H]([C@@H](C2=N1)C3=CC=C(OC)C=C3C[C@H](C)C(O)=O)C(O)=O)C4=CC=C5OCOC5=C4

InChI

InChIKey=IUHMIOAKWHUFKU-YINIXLNUSA-N

InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H33NO7
Molecular Weight	531.5962
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
In vivo labeling of endothelin receptors with [(11)C]L-753,037: studies in mice and a dog.	2001 Aug	11483691

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:09:21 GMT 2023` Edited by `admin` on `Sat Dec 16 10:09:21 GMT 2023`
Record UNII	N71Z6M3T0I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J-104132

Common Name

English

5H-CYCLOPENTA(B)PYRIDINE-6-CARBOXYLIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-2-BUTYL-7-(2-(2-CARBOXYPROPYL)-4-METHOXYPHENYL)-6,7-DIHYDRO-, (5S-(5.ALPHA.,6.BETA.,7.ALPHA.(R*)))-

Systematic Name

English

5H-CYCLOPENTA(B)PYRIDINE-6-CARBOXYLIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-2-BUTYL-7-(2-((2S)-2-CARBOXYPROPYL)-4-METHOXYPHENYL)-6,7-DIHYDRO-, (5S,6R,7R)-

Systematic Name

English

L-753037

Code

English

Code System Code Type Description

PUBCHEM

186002

Created by admin on Sat Dec 16 10:09:22 GMT 2023 , Edited by admin on Sat Dec 16 10:09:22 GMT 2023

PRIMARY

CAS

198279-45-7

Created by admin on Sat Dec 16 10:09:22 GMT 2023 , Edited by admin on Sat Dec 16 10:09:22 GMT 2023

PRIMARY

FDA UNII

N71Z6M3T0I

Created by admin on Sat Dec 16 10:09:22 GMT 2023 , Edited by admin on Sat Dec 16 10:09:22 GMT 2023

PRIMARY

CAS

224448-58-2

Created by admin on Sat Dec 16 10:09:22 GMT 2023 , Edited by admin on Sat Dec 16 10:09:22 GMT 2023

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