OLODANRIGAN SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H28NO5.Na
Molecular Weight	529.5582
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COC1=CC=C2CN([C@@H](CC2=C1OCC3=CC=CC=C3)C([O-])=O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=AKMGNOBRQGBYJM-YCBFMBTMSA-M

InChI=1S/C32H29NO5.Na/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22;/h2-18,27,29H,19-21H2,1H3,(H,35,36);/q;+1/p-1/t27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C32H28NO5
Molecular Weight	506.5684
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 `Sat Dec 16 08:00:58 UTC 2023` Edited by `admin` on `Sat Dec 16 08:00:58 UTC 2023`
Record UNII	P9EW7EP34P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OLODANRIGAN SODIUM

Common Name

English

PD-126055 SODIUM

Code

English

EMA-401 SODIUM

Code

English

3-ISOQUINOLINECARBOXYLIC ACID, 2-(2,2-DIPHENYLACETYL)-1,2,3,4-TETRAHYDRO-6-METHOXY-5-(PHENYLMETHOXY)-, SODIUM SALT (1:1), (3S)-

Systematic Name

English

EMA401 SODIUM

Code

English

Code System Code Type Description

CAS

1316755-17-5