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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22N8O6
Molecular Weight 470.4395
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXYMETHOTREXATE

SMILES

CN(Cc1c(=O)nc2-c(c(N)[nH]c(=N)[nH]2)n1)c3ccc(cc3)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 470.4395
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Jun 26 11:46:41 UTC 2021
Edited
by admin
on Sat Jun 26 11:46:41 UTC 2021
Record UNII
X019Z9S1DL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXYMETHOTREXATE
Common Name English
L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-7,8-DIHYDRO-7-OXO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-
Systematic Name English
N-(4-(((2,4-DIAMINO-7,8-DIHYDRO-7-OXO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-L-GLUTAMIC ACID
Systematic Name English
NSC-380962
Code English
Code System Code Type Description
CAS
5939-37-7
Created by admin on Sat Jun 26 11:46:41 UTC 2021 , Edited by admin on Sat Jun 26 11:46:41 UTC 2021
PRIMARY
FDA UNII
X019Z9S1DL
Created by admin on Sat Jun 26 11:46:41 UTC 2021 , Edited by admin on Sat Jun 26 11:46:41 UTC 2021
PRIMARY
MESH
C011864
Created by admin on Sat Jun 26 11:46:41 UTC 2021 , Edited by admin on Sat Jun 26 11:46:41 UTC 2021
PRIMARY
PUBCHEM
5484402
Created by admin on Sat Jun 26 11:46:41 UTC 2021 , Edited by admin on Sat Jun 26 11:46:41 UTC 2021
PRIMARY
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