7-HYDROXYMETHOTREXATE

Investigational

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 Search

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

Title	Date	PubMed

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

Related Record Type Details


					99ITO15X8S

METHOTREXATE, (+/-)-

PARENT -> METABOLITE

Comments:

Isoform AOX1 is expressed in the liver in humans.


					YL5FZ2Y5U1

METHOTREXATE

PARENT -> METABOLITE

Comments:

Mediator Substance is AOX1


					YL5FZ2Y5U1

METHOTREXATE

PARENT -> METABOLITE TOXIC

Comments:

7-OH-MTX levels were correlated with nephrotoxicity in adolescents.