| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 13 | No |
Popular Name: Dacarbazine Dacarbazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4342-03-4 , 64038-56-8 , [4342-03-4]
(5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
(Dimethyltriazeno)imidazolecarboxamide
1H-Imidazole-4-carboxamide, 5- (3,4-dimethyl-1-triazenyl)-
1H-imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-
4(5)-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide
4(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide
4-(3,3-Dimethyl-1-triazeno)imidazole-5-carboxamide
4-(3,3-Dimethyltriazeno)imidazole-5-carboxamide
4-(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide
4-(Dimethyltriazeno)imidazole-5-c arboxamide
4-(Dimethyltriazeno)imidazole-5-carboxamide
4-(or 5)-(3,3-Dimethyl-1-triazeno)imidazole-5(or 4)-carboxamide
4-(or 5)-(3,3-Dimethyl-1-triazeno)imidazole-5(or 4)-carboxamide
4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1H-imidazole-5-carboxamide
4-[3,3-dimethyltriaz-1-en-1-yl]-1H-imidazole-5-carboxamide
4342-03-4; C06936; Dacarbazine
4342-03-4; D00288; DTIC-Dome (TN); Dacarbazine (JAN/USP/INN)
4342-03-4; Dacarbazine; Prestwick_904
5(or 4)-(dimethyltriazeno)imidazol e-4(or 5)-carboxamide
5(or 4)-(dimethyltriazeno)imidazole-4(or 5)-carboxamide
5-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide
5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
5-(3,3-Dimethyl-1-triazenyl)imidazole-4-carboxamide
5-(3,3-Dimethyltri azeno)imidazole-4-carboxamide
5-(3,3-dimethyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide
5-(3,3-Dimethyltriazeno)-imidazole-4-carbamide
5-(3,3-Dimethyltriazeno)imidazole-4-carboxamide
5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
5-(Dimethyltriazeno)-4-imidazolecarboxamide
5-(Dimethyltriazeno)imidazole-4-carboxamide
5-(Dimethyltriazeno)imidazole-4-carboximide
5-[3,3-Dimethyl-1-triazenyl]imidazole-4-carboxamide
64038-56-8; D07772; Dacarbazine (TN); Dacarbazine citrate
Carboxamide, 5-(3,3-dimethyl-1-triazeno)imidazole-4-
Carboxamide, Dimethyl Imidazole
dacarbazina; dacarbazine; dacarbazinum
Dacarbazine [USAN:INN:BAN:JAN]
Di-me-triazenoimidazolecarboxamide
Di-methyl-triazenoimidazolecarboxamide
Dimethyl Imidazole Carboxamide
Dimethyl Triazeno Imidazole Carboxamide
Dimethyltriazenoimidazolecarboxamide
Imidazole Carboxamide, Dimethyl
Imidazole-4(or 5)-carboxamide, 5(or 4)-(3,3-dimethyl-1-triazeno)-
Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazeno)-
| 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) | -0.13 | -0.85 | -14.04 | 3 | 7 | 0 | 100 | 182.187 | 3 | ↓ |
| Ref Reference (pH 7) | -0.13 | -0.87 | -19.56 | 3 | 7 | 0 | 100 | 182.187 | 3 | ↓ |
| Ref Reference (pH 7) | -0.13 | 0.15 | -14 | 3 | 7 | 0 | 100 | 182.187 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | -3.57 | -44.97 | 2 | 7 | -1 | 100 | 181.179 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | -3.12 | -22.5 | 3 | 7 | 0 | 102 | 182.187 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | -3.58 | -44.91 | 2 | 7 | -1 | 100 | 181.179 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.13 | 0.66 | -24 | 4 | 7 | 0 | 101 | 183.195 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.36e+00 g/l | DrugBank-approved |
| Purity | 97% | Fluorochem |
| Therapy | antineoplastic | SMDC Iconix |
| Indications | antineoplastic chemotherapy drug | KeyOrganics Bioactives |
| Target | DNA/RNA Synthesis | Selleck Chemicals |
| Patent Database Links | EP1110552; EP1498127; EP1537858; EP1538164; EP1580188; EP1584682; EP1611879; EP1649857; EP1658844; EP1676576; EP1716852; EP1717247; EP1719527; EP1728863; EP1782822; EP1803810; EP1808173; EP1813609; EP1834637; EP1849480; EP1854464; EP1872798; EP1900823; EP | ChEBI |
| Indications | malignant melanoma | KeyOrganics Bioactives |
No pre-computed analogs available. Try a structural similarity search.