LY-228729

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H25N3O.C9H9NO3
Molecular Weight	478.5833
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CNC(=O)C1=CC=CC=C1.CCCN(CCC)[C@H]2CC3=CNC4=C3C(C2)=C(C=C4)C(N)=O

InChI

InChIKey=WNHCMVMMLWRHHG-ZOWNYOTGSA-N

InChI=1S/C18H25N3O.C9H9NO3/c1-3-7-21(8-4-2)13-9-12-11-20-16-6-5-14(18(19)22)15(10-13)17(12)16;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H2,19,22);1-5H,6H2,(H,10,13)(H,11,12)/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C9H9NO3
Molecular Weight	179.1727
Charge	0
Count

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

Molecular Formula	C18H25N3O
Molecular Weight	299.4106
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 `Fri Dec 15 15:40:20 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:20 GMT 2023`
Record UNII	Z8QO9WP3P7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-228729

Common Name

English

LY228729

Code

English

GLYCINE, N-BENZOYL-, COMPD. WITH (R)-4-(DIPROPYLAMINO)-1,3,4,5-TETRAHYDROBENZ(CD)INDOLE-6-CARBOXAMIDE (1:1)

Common Name

English

4-(DIPROPYLAMINO)-1,3,4,5-TETRAHYDROBENZ(CD)INDOLE-6-CARBOXAMIDE HIPPURATE,L-

Common Name

English

BENZ(CD)INDOLE-6-CARBOXAMIDE, 4-(DIPROPYLAMINO)-1,3,4,5-TETRAHYDRO-, (4R)-, COMPD. WITH N-BENZOYLGLYCINE (1:1)

Systematic Name

English

BENZ(CD)INDOLE-6-CARBOXAMIDE, 4-(DIPROPYLAMINO)-1,3,4,5-TETRAHYDRO-, (R)-, COMPD. WITH N-BENZOYLGLYCINE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

137641-36-2

Created by admin on Fri Dec 15 15:40:20 GMT 2023 , Edited by admin on Fri Dec 15 15:40:20 GMT 2023

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FDA UNII

Z8QO9WP3P7

Created by admin on Fri Dec 15 15:40:20 GMT 2023 , Edited by admin on Fri Dec 15 15:40:20 GMT 2023

PRIMARY

PUBCHEM

22852138

Created by admin on Fri Dec 15 15:40:20 GMT 2023 , Edited by admin on Fri Dec 15 15:40:20 GMT 2023

PRIMARY

EPA CompTox

DTXSID10275661

Created by admin on Fri Dec 15 15:40:20 GMT 2023 , Edited by admin on Fri Dec 15 15:40:20 GMT 2023

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