3',5'-DIFLUOROMETHOTREXATE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H20F2N8O5
Molecular Weight	490.4202
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3',5'-DIFLUOROMETHOTREXATE, (±)-

Structure Search

SMILES

CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C3=C(F)C=C(C=C3F)C(=O)NC(CCC(O)=O)C(O)=O

InChI

InChIKey=WLGUDGOIFDAKHG-UHFFFAOYSA-N

InChI=1S/C20H20F2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)

HIDE SMILES / InChI

Molecular Formula	C20H20F2N8O5
Molecular Weight	490.4202
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 11:43:07 GMT 2023` Edited by `admin` on `Sat Dec 16 11:43:07 GMT 2023`
Record UNII	ESI69SZS2O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3',5'-DIFLUOROMETHOTREXATE, (±)-

Common Name

English

DL-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)-3,5-DIFLUOROBENZOYL)-

Systematic Name

English

GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)-3,5-DIFLUOROBENZOYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

282801

Created by admin on Sat Dec 16 11:43:07 GMT 2023 , Edited by admin on Sat Dec 16 11:43:07 GMT 2023

PRIMARY

FDA UNII

ESI69SZS2O

Created by admin on Sat Dec 16 11:43:07 GMT 2023 , Edited by admin on Sat Dec 16 11:43:07 GMT 2023

PRIMARY

CAS

170969-77-4

Created by admin on Sat Dec 16 11:43:07 GMT 2023 , Edited by admin on Sat Dec 16 11:43:07 GMT 2023

PRIMARY

Related Record Type Details

C13621B1AB

3',5'-DIFLUOROMETHOTREXATE

ENANTIOMER -> RACEMATE


					8K171M5VWJ

3',5'-DIFLUOROMETHOTREXATE, (R)-

ENANTIOMER -> RACEMATE