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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20F2N8O5
Molecular Weight 490.4202
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3',5'-DIFLUOROMETHOTREXATE

SMILES

CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C3=C(F)C=C(C=C3F)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=WLGUDGOIFDAKHG-LBPRGKRZSA-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)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20F2N8O5
Molecular Weight 490.4202
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 11:43:07 GMT 2023
Edited
by admin
on Sat Dec 16 11:43:07 GMT 2023
Record UNII
C13621B1AB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3',5'-DIFLUOROMETHOTREXATE
Common Name English
NSC-136736
Code English
N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)-3,5-DIFLUOROBENZOYL)-L-GLUTAMIC ACID
Systematic Name English
GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)-3,5-DIFLUOROBENZOYL)-, L-(+)-
Systematic Name English
L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)-3,5-DIFLUOROBENZOYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
97611
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
C13621B1AB
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
34378-64-8
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
NSC
136736
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
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