LY-368842 GLYCOLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H30N4O4.C2H4O3
Molecular Weight	550.6029
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCC(O)=O.CC(C)(CC1=CC=C(OC2=NC=C(C=C2)C(N)=O)C=C1)NC[C@H](O)COC3=CC=CC4=C3C=CN4

InChI

InChIKey=JDQMRAJJRYCERQ-BDQAORGHSA-N

InChI=1S/C27H30N4O4.C2H4O3/c1-27(2,31-16-20(32)17-34-24-5-3-4-23-22(24)12-13-29-23)14-18-6-9-21(10-7-18)35-25-11-8-19(15-30-25)26(28)33;3-1-2(4)5/h3-13,15,20,29,31-32H,14,16-17H2,1-2H3,(H2,28,33);3H,1H2,(H,4,5)/t20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O3
Molecular Weight	76.0514
Charge	0
Count

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

Molecular Formula	C27H30N4O4
Molecular Weight	474.5515
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:32:23 GMT 2025` Edited by `admin` on `Mon Mar 31 18:32:23 GMT 2025`
Record UNII	8RH45G4F5T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-368842 GLYCOLATE

Preferred Name

English

Code System Code Type Description

FDA UNII

8RH45G4F5T

Created by admin on Mon Mar 31 18:32:23 GMT 2025 , Edited by admin on Mon Mar 31 18:32:23 GMT 2025

PRIMARY

PUBCHEM

9829004

Created by admin on Mon Mar 31 18:32:23 GMT 2025 , Edited by admin on Mon Mar 31 18:32:23 GMT 2025

PRIMARY

CAS

340784-55-6

Created by admin on Mon Mar 31 18:32:23 GMT 2025 , Edited by admin on Mon Mar 31 18:32:23 GMT 2025

PRIMARY

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