Bexotegrast

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36N6O3
Molecular Weight	492.6131
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCN(CCCCC1=NC2=C(CCCN2)C=C1)CC[C@H](NC3=NC=NC4=C3C=CC=C4)C(O)=O

InChI

InChIKey=CWOFQJBATWQSHL-DEOSSOPVSA-N

InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H36N6O3
Molecular Weight	492.6131
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 `Sat Dec 16 14:12:04 GMT 2023` Edited by `admin` on `Sat Dec 16 14:12:04 GMT 2023`
Record UNII	QCV154PFT4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bexotegrast

Official Name

English

(S)-4-[(2-Methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(quinazolin-4-yl)amino]butanoic acid

Systematic Name

English

bexotegrast [INN]

Common Name

English

PLN 74809 [WHO-DD]

Common Name

English

BEXOTEGRAST [USAN]

Common Name

English

Butanoic acid, 4-[(2-methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(4-quinazolinylamino)-, (2S)-

Systematic Name

English

PLN-74809

Code

English

(2S)-4-{(2-methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino}-2-[(quinazolin-4-yl)amino]butanoic acid

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

646518