Melarsoprol
PubChem CID: 10311
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| Compound Synonyms | MELARSOPROL, 494-79-1, Mel B, Arsobal, Melarsoprolum, Melarsoprolum [INN-Latin], RP 3854, EINECS 207-793-4, Melarsoprol [INN:BAN:DCF], [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol, Melarsoprol (INN), UNII-ZF3786Q2E8, RP-3854, ZF3786Q2E8, MELARSOPROL [MI], Mel B (TN), MELARSOPROL [INN], MELARSOPROL [MART.], MELARSOPROL [WHO-DD], CHEBI:6729, DTXSID90862033, 2-(p-(4,6-Diamino-s-triazin-2-ylamino)phenyl)-1,3,2-dithiarsolane-4-methanol, 1,3,2-Dithiarsolane-4-methanol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-, Melarsoprolum (INN-Latin), (2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-1,3,2-dithiarsolan-4-yl)methanol, MELARSOPROL (MART.), Melarsoprol(Mixture of Diastereomers), (2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsolan-4-yl)methanol, Specia, 1,3,2-Dithiarsolane-4-methanol, 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-, CHEMBL166, SCHEMBL61707, DTXCID00810863, P01CD01, JCYZMTMYPZHVBF-UHFFFAOYSA-N, AKOS040752991, Melarsoprol (Mixture of Diastereomers), DB12864, HY-119594, CS-0070029, NS00080111, C08001, D00832, Q419753, 2-[4-{(4,6-Diamino-1,3,5-triazin-2-yl)amino}phenyl]-1,3,2-dithiarsolan-e-4-methanol, 207-793-4 |
|---|---|
| Topological Polar Surface Area | 174.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Is Pains | False |
| Molecular Formula | C12H15AsN6OS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JCYZMTMYPZHVBF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Melarsoprol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 397.996 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 397.996 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 398.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19) |
| Smiles | C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schkuhria Pinnata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Tarchonanthus Camphoratus (Plant) Rel Props:Source_db:cmaup_ingredients