Input interpretation
dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran
Chemical names and formulas
![| dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran formula | C_20H_20Cl_2N_8O_5 | C_8H_15ClO_2 Hill formula | C_20H_20Cl_2N_8O_5 | C_8H_15ClO_2 name | dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran IUPAC name | 2-[[3, 5-dichloro-4-[(2, 4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid | 2-(3-chloropropoxy)tetrahydropyran alternate names | 3', 5'-dichloromethotrexate | amethopterin, 3', 5'-dichloro- | 2-(3-chloropropoxy)oxane | 2-(3-chloropropoxy)tetrahydropyran mass fractions | C (carbon) 45.9% | Cl (chlorine) 13.5% | H (hydrogen) 3.85% | N (nitrogen) 21.4% | O (oxygen) 15.3% | C (carbon) 53.8% | Cl (chlorine) 19.8% | H (hydrogen) 8.46% | O (oxygen) 17.9%](../image_source/0b9c6db90583cf5b91f651ae4a55a38b.png)
| dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran formula | C_20H_20Cl_2N_8O_5 | C_8H_15ClO_2 Hill formula | C_20H_20Cl_2N_8O_5 | C_8H_15ClO_2 name | dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran IUPAC name | 2-[[3, 5-dichloro-4-[(2, 4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid | 2-(3-chloropropoxy)tetrahydropyran alternate names | 3', 5'-dichloromethotrexate | amethopterin, 3', 5'-dichloro- | 2-(3-chloropropoxy)oxane | 2-(3-chloropropoxy)tetrahydropyran mass fractions | C (carbon) 45.9% | Cl (chlorine) 13.5% | H (hydrogen) 3.85% | N (nitrogen) 21.4% | O (oxygen) 15.3% | C (carbon) 53.8% | Cl (chlorine) 19.8% | H (hydrogen) 8.46% | O (oxygen) 17.9%
Structure diagrams
| dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran vertex count | 35 | 11 edge count | 44 | 11 Schultz index | 17575 | 749 Wiener index | 4252 | 182 Hosoya index | 1.008×10^7 | 184 Balaban index | 1.513 | 1.958
3D structure
3D structure
Basic properties
| dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran molar mass | 523.3 g/mol | 178.7 g/mol phase | | liquid (at STP) boiling point | | 55 °C density | | 1.08 g/cm^3
Units
Liquid properties
| 2-(3-chloropropoxy)tetrahydro-2 H-pyran density | 1.08 g/cm^3 refractive index | 1.458
Units
Chemical identifiers
| dichloromethotrexate | 2-(3-chloropropoxy)tetrahydro-2 H-pyran CAS number | 528-74-5 | 42330-88-1 Beilstein number | 73523 | PubChem CID number | 31010 | 254954 PubChem SID number | | 24870369 SMILES identifier | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl | C1CCOC(C1)OCCCCl InChI identifier | InChI=1/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6, 12H, 2-3, 7H2, 1H3, (H, 27, 33)(H, 31, 32)(H, 34, 35)(H4, 23, 24, 25, 28, 29)/f/h27, 31, 34H, 23-24H2 | InChI=1/C8H15ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H, 1-7H2 RTECS number | MA1250000 | NSC number | 29630 | MDL number | | MFCD00023846