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Diethylcarbamazine Citrate
CAS: 1642-54-2 | C16H29N3O8
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1642-54-2
Molecular Formula:
C16H29N3O8
Molecular Mass:
391.42 g/mol
Names and Synonyms:
Diethylcarbamazine Citrate
1-Piperazinecarboxamide, N,N-diethyl-4-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
1-Piperazinecarboxamide, N,N-diethyl-4-methyl-, citrate (1:1)
Caricide
Caritrol
Dicarocide
Diethylcarbamazine Acid Citrate
Diethylcarbamazine citrate
1-Diethylcarbamoyl-4-methylpiperazine dihydrogen citrate
N,N-Diethyl-4-methyl-1-piperazinecarboxamide dihydrogen citrate
Ethodryl citrate
Franocide
Franozan
Ditrazine
Hetrazan
Ditrazin citrate
Filazine
1-Methyl-4-diethylcarbamoylpiperazine citrate
Loxuran
Dirocide
Banocide
Ethylaminoazine citrate
Longicid
Dec
Filaribits
NSC 80513
Identifiers:
SMILES:
CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI:
InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Key Properties
Melting Point
141-143 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 391.42 g/mol | CAS Common Chemistry |
| 391.42100000000016 g/mol | RDKit | |
| 391.1954648879999 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(N(CC)CC)N1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=PGNKBEARDDELNB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141-143 °C | CAS Common Chemistry |
| Name | Diethylcarbamazine citrate | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 158.92000000000002 Ų | RDKit |
| LogP | -0.552899999999996 | RDKit |
| Molar Refractivity | 94.47820000000006 | RDKit |
