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N-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid | CAS No. 59-05-2

N-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-L-glutamic acid

Basic Information

Chemical_Structure_Of

CAS Number

59-05-2

Molecular Formula

C20H22N8O5

Molecular Weight

454.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

195 ºC

Boiling Point

561.26°C (rough estimate)

Flash Point

11°C(51.8°F)(lit.)

Solubility

H2O: insoluble

Refractive Index

1.6910 (estimate)

Specific Rotation

+19° ~ +24° (c=1, 14 g/l Na2CO3)

SMILES

CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

InChIKey

FBOZXECLQNJBKD-ZDUSSCGKSA-N

LogP

0.2684000000000003

Topological Polar Surface Area

210.53999999999996 Å²

Hydrogen Bond Donor/Acceptor

7 / 13

Complexity

704

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid
METHYLAMINOPTERIN
METHYLAMINOPTERINE
ANTIFOLAN
L-(+)-AMETHOPTERIN
(+)-AMETHOPTERIN
AMETHOPTERIN
4-AMINO-N 10-METHYLPTEROYL-L-GLUTAMIC ACID
4-AMINO-1
METHYLPTEROYLGLUTAMIC ACId
(+)-4-AMINO-10-METHYLFOLIC ACID
4-AMINO-10-METHYLFOLIC ACID
n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-l-glutamic acid
N-[4-[[(2,4-DIAMINO-6-PTERIDINYL)METHYL]METHYLAMINO]BENZOYL]-L-GLUTAMIC ACID
MTX
methylpteroylglutamate
4-Amino-4-deoxy-N(sup10)methylpteroylglutamic acid
(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)-(methyl)amino)benzamido)pentanedioic acid
Methotrexate
Methotrexate Heptaglutamate
Methotrexate hydrate
Methotrexate solution
4-amino-4-deoxy-10-methylpteroyl-L-glutamic acid
Hdmtx
L-A-methopterin
Mexate
4-Amino-N10-methylpteroyl-L-glutamic acid
Rheumatrex
Abitrexate
Metatrexan
Trexall

MDL Number

MFCD00064370

Customs Code

2933990090

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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