| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 14 | Yes |
Popular Name: DIETHYLCARBAMAZINE CITRATE DIETHYLCARBAMAZINE CITRATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1642-54-2 , 1642-54-2, 90-89-1 [dieth , 1642-54-2, 90-89-1 [diethylcarbamazine]
1-Diethylcarbamyl-4-methylpiperazine
1-Piperazinecarboxamide, N,N-diethyl-4-methyl-
1642-54-2; Diethylcarbamazine citrate; Prestwick_166
2-hydroxypropane-1,2,3-tricarboxylic acid; N,N-diethyl-4-methylpiperazine-1-carboxamide
4-23-00-00225 (Beilstein Handbook Reference)
5348-97-0 (mono-hydrochloride)
Diethylcarbamazinum [INN-Latin]
Dietilcarbamazina [INN-Spanish]
INN); Diethylcarbamazine Citrate (FDA
N,N-diethyl(4-methylpiperazinyl)carboxamide
N,N-Diethyl-4-methyl-1-piperazinecarboxamide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.88 | 5.6 | -43.62 | 1 | 4 | 1 | 28 | 200.306 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 3.04 | -8.64 | 0 | 4 | 0 | 27 | 199.298 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting Pt.: | 132-134?C | Toronto Research Chemicals |
| MP | 140 | TCI |
| ALOGPS_SOLUBILITY | 2.36e+02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Therapy | anthelmintic | SMDC Iconix |
| Solubility: | Water, Hot alcohol | Toronto Research Chemicals |
