Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride) (CAS 70844-48-3) — formula C30H31ClN14O4, molecular weight 687.1; category organic chemicals.
| CAS Number | 70844-48-3 |
|---|---|
| Molecular Formula | C30H31ClN14O4 |
| Molecular Weight | 687.1 |
| Category | Organic Chemicals |
Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride) is a carbon-based organic compound with CAS registry number 70844-48-3 and molecular formula C30H31ClN14O4 (molecular weight 687.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70844-48-3
Its molecular formula C30H31ClN14O4 comprises 30 C, 31 H, 1 Cl, 14 N, 4 O atoms.
Also known as: Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride) · 氨甲叶酸杂质E
Category: organic chemicals
The CAS registry number of Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride) is 70844-48-3.
Molecular formula C30H31ClN14O4, molecular weight 687.1.
It is also registered under: Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride), 氨甲叶酸杂质E.
Category: Organic Chemicals.
Independent reference data for Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride) (CAS 70844-48-3), compiled from public chemistry databases.
| CAS 号 | 70844-48-3 |
|---|---|
| PubChem CID | 66957731 |
| 分子式 | C30H31ClN14O4 |
| IUPAC 名称 | bis(4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid);hydrochloride |
| UNII（FDA） | 037BJM6602 |
| Molecular Weight | 687.1 |
|---|---|
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 8 |
| Exact Mass | 686.2341232 |
| Monoisotopic Mass | 686.2341232 |
| Topological Polar Surface Area | 288 |
| Heavy Atom Count | 49 |
70844-48-3; 4-Amino-4-deoxy-N10-methylpteroic acid, hemihydrochloride; 037BJM6602; Benzoic acid, 4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-, hydrochloride (2:1); RefChem:1070266; UNII-037BJM6602; 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid;hydrochloride; SCHEMBL1230259; Methotrexate EP Impurity E HCl; WWFYKUISNIJHNQ-UHFFFAOYSA-N; Q27247537; hemihydrochloride4-amino-4-deoxy-N10-methylpteroic acid; 4-[N-(2,4-diamino-6-pteridinylmethyl)-N-methylamino]benzoic acid hemihydrochloride
| 已通报的危害声明 | H317 (100%) |
|---|
氨甲叶酸杂质E · CAS 70844-48-3 · C30H31ClN14O4. UNII 037BJM6602.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氨甲叶酸杂质E