ChemicalBook--->CAS DataBase List--->100929-45-1

100929-45-1

100929-45-1 Structure

100929-45-1 Structure
IdentificationBack Directory
[Name]

4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT
[CAS]

100929-45-1
[Synonyms]

4-amino-4-deoxypteroic acid
4-Aminodeoxopteroic acid sodium salt
Sodium 4-(((2,4-diaminopteridin-6-yl)
4-AMINO-4-DEOXYPTEROIC ACID SODIUM SALT
4-(N-(2,4-diamino-6-pteridinylmethyl)*amino)benzo
4-[N-(2,4-DIAMINO-6-PT ERIDYNYL METHYL) AMINO BENZ
4-(N-(2,4-DIAMINO-6-PTERIDINYLMETHYL)AMI NO)BENZOIC
diamino-6-pteridinylmethylaminobenzoic acid sodium salt
sodiuM 4-{[(2,4-diaMinopteridin-6-yl)Methyl]aMino}benzoate
4-[N-(2,4-DIAMINO-6-PTERIDINYLMETHYL)AMINO]BENZOIC ACID SODIUM
4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT
4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]-benzoic acid sodium salt
sodium 4-{[(4-amino-2-imino-2,3-dihydropteridin-6-yl)methyl]amino}benzoate
Benzoic acid, 4-[[(2,4-diaMino-6-pteridinyl)Methyl]aMino]-, MonosodiuM salt
Benzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-, sodium salt (1:1)
4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt >=95% (TLC)
4-[(2-AMino-4-iMino-3,4-dihydropteridin-6-ylMethyl)aMino]benzoic acid sodiuM salt
[Molecular Formula]

C14H12N7NaO2
[MDL Number]

MFCD00006709
[MOL File]

100929-45-1.mol
[Molecular Weight]

333.28
Chemical PropertiesBack Directory
[storage temp. ]

Store at 0-8 °C
[form ]

powder
[color ]

yellow to orange
[biological source]

synthetic (organic)
[InChI]

1S/C14H13N7O2.Na/c15-11-10-12(21-14(16)20-11)18-6-9(19-10)5-17-8-3-1-7(2-4-8)13(22)23;/h1-4,6,17H,5H2,(H,22,23)(H4,15,16,18,20,21);/q;+1/p-1
[InChIKey]

NDXULQWYAMJQGC-UHFFFAOYSA-M
[SMILES]

[Na+].Nc1nc(N)c2nc(CNc3ccc(cc3)C([O-])=O)cnc2n1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22
[Safety Statements ]

36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid is an impurity found in methotrexate preparations. It may be used as a reference compound in methothrexate purity analysis.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT(100929-45-1)1HNMR
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