PLEVITREXED, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H25FN8O4
Molecular Weight	532.5263
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NC(=O)C2=C(N1)C=C(C)C(CN(CC#C)C3=CC(F)=C(C=C3)C(=O)NC(CCC4=NN=NN4)C(O)=O)=C2

InChI

InChIKey=IEJSCSAMMLUINT-UHFFFAOYSA-N

InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)

HIDE SMILES / InChI

Molecular Formula	C26H25FN8O4
Molecular Weight	532.5263
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:17:34 UTC 2023` Edited by `admin` on `Sat Dec 16 02:17:34 UTC 2023`
Record UNII	N094EYQ29D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PLEVITREXED, (±)-

Common Name

English

2H-TETRAZOLE-5-BUTANOIC ACID, .ALPHA.-((4-(((3,4-DIHYDRO-2,7-DIMETHYL-4-OXO-6-QUINAZOLINYL)METHYL)-2-PROPYN-1-YLAMINO)-2-FLUOROBENZOYL)AMINO)-

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

240207