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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22N8O6
Molecular Weight 470.4387
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXYMETHOTREXATE

SMILES

CN(CC1=NC2=C(N)N=C(N)N=C2N=C1O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=HODZDDDNGRLGSI-NSHDSACASA-N
InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H22N8O6
Molecular Weight 470.4387
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
X019Z9S1DL
Record Status Validated (UNII)
Record Version