J-104132 DISODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H31NO7.2Na
Molecular Weight	575.5599
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CCCCC1=CC=C2[C@@H]([C@H]([C@@H](C2=N1)C3=C(C[C@H](C)C([O-])=O)C=C(OC)C=C3)C([O-])=O)C4=CC=C5OCOC5=C4

InChI

InChIKey=UYBBLNHJCUVUCT-KODQONTISA-L

InChI=1S/C31H33NO7.2Na/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);;/q;2*+1/p-2/t17-,26-,27-,28+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C31H31NO7
Molecular Weight	529.5803
Charge	-2
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.	2001-08	11483691

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:06:08 GMT 2025` Edited by `admin` on `Mon Mar 31 18:06:08 GMT 2025`
Record UNII	B4X4R253HY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BQ-4508-2 DISODIUM

Preferred Name

English

J-104132 DISODIUM

Common 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-, SODIUM SALT (1:2), (5S,6R,7R)

Systematic Name

English

J-104132 DISODIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

B4X4R253HY

Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025

PRIMARY

CAS

258349-56-3

Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025

PRIMARY

PUBCHEM

60196401

Created by admin on Mon Mar 31 18:06:08 GMT 2025 , Edited by admin on Mon Mar 31 18:06:08 GMT 2025

PRIMARY

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