RS-93522

Details

Stereochemistry	MIXED
Molecular Formula	C27H30N2O9
Molecular Weight	526.5351
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(C)NC(C)=C(C1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)OCCC3=CC=C(OCC(O)CO)C=C3

InChI

InChIKey=QLNAYPDWIWUVHP-UHFFFAOYSA-N

InChI=1S/C27H30N2O9/c1-16-23(26(32)36-3)25(19-5-4-6-20(13-19)29(34)35)24(17(2)28-16)27(33)37-12-11-18-7-9-22(10-8-18)38-15-21(31)14-30/h4-10,13,21,25,28,30-31H,11-12,14-15H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C27H30N2O9
Molecular Weight	526.5351
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:48:40 GMT 2025` Edited by `admin` on `Mon Mar 31 17:48:40 GMT 2025`
Record UNII	QKX40Y8NJN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RS-93522

Code

English

RS-93522-004

Preferred Name

English

3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(2-(4-(2,3-DIHYDROXYPROPOXY)PHENYL)ETHYL) 5-METHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

QKX40Y8NJN

Created by admin on Mon Mar 31 17:48:40 GMT 2025 , Edited by admin on Mon Mar 31 17:48:40 GMT 2025

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PUBCHEM

128487

Created by admin on Mon Mar 31 17:48:40 GMT 2025 , Edited by admin on Mon Mar 31 17:48:40 GMT 2025

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