PHOTOTREXATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N7O5
Molecular Weight	437.4088
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC2=C(C=C(C=C2)\N=N\C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(N)=N1

InChI

InChIKey=IODLJULYGHWOLC-HIUCBWPRSA-N

InChI=1S/C20H19N7O5/c21-17-13-9-12(5-6-14(13)24-20(22)25-17)27-26-11-3-1-10(2-4-11)18(30)23-15(19(31)32)7-8-16(28)29/h1-6,9,15H,7-8H2,(H,23,30)(H,28,29)(H,31,32)(H4,21,22,24,25)/b27-26+/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H19N7O5
Molecular Weight	437.4088
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:06:02 UTC 2023` Edited by `admin` on `Sat Dec 16 18:06:02 UTC 2023`
Record UNII	7Z32VZR9Y3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHOTOTREXATE

Common Name

English

N-(4-((1E)-2-(2,4-DIAMINO-6-QUINAZOLINYL)DIAZENYL)BENZOYL)-L-GLUTAMIC ACID

Systematic Name

English

L-GLUTAMIC ACID, N-(4-((1E)-2-(2,4-DIAMINO-6-QUINAZOLINYL)DIAZENYL)BENZOYL)-

Systematic Name

English

trans-Phototrexate

Common Name

English

N-[4-[2-(2,4-Diamino-6-quinazolinyl)diazenyl]benzoyl]-L-glutamic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

7Z32VZR9Y3