LY-2090314 ETHANOL SOLVATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H25FN6O3.C2H6O
Molecular Weight	558.6033
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCO.FC1=CC2=C3N(CCN(C2)C(=O)N4CCCCC4)C=C(C3=C1)C5=C(C(=O)NC5=O)C6=CN=C7C=CC=CN67

InChI

InChIKey=PQDRKXRENQDFMP-UHFFFAOYSA-N

InChI=1S/C28H25FN6O3.C2H6O/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22;1-2-3/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37);3H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C2H6O
Molecular Weight	46.0684
Charge	0
Count

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

Molecular Formula	C28H25FN6O3
Molecular Weight	512.5349
Charge	0
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 `Fri Dec 15 15:59:47 UTC 2023` Edited by `admin` on `Fri Dec 15 15:59:47 UTC 2023`
Record UNII	8L2TPK01B9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-2090314 ETHANOL SOLVATE

Code

English

1H-PYRROLE-2,5-DIONE, 3-(9-FLUORO-1,2,3,4-TETRAHYDRO-2-(1-PIPERIDINYLCARBONYL)PYRROLO(3,2,1-JK)(1,4)BENZODIAZEPIN-7-YL)-4-IMIDAZO(1,2-A)PYRIDIN-3-YL-, COMPD. WITH ETHANOL (1:1)

Systematic Name

English

Code System Code Type Description

CAS

1097945-23-7

Created by admin on Fri Dec 15 15:59:47 UTC 2023 , Edited by admin on Fri Dec 15 15:59:47 UTC 2023

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FDA UNII

8L2TPK01B9

Created by admin on Fri Dec 15 15:59:47 UTC 2023 , Edited by admin on Fri Dec 15 15:59:47 UTC 2023

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PUBCHEM

66751813

Created by admin on Fri Dec 15 15:59:47 UTC 2023 , Edited by admin on Fri Dec 15 15:59:47 UTC 2023

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SMS_ID

300000038503

Created by admin on Fri Dec 15 15:59:47 UTC 2023 , Edited by admin on Fri Dec 15 15:59:47 UTC 2023

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Related Record Type Details


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LY-2090314

ANHYDROUS->SOLVATE