semustine (CAS 13909-09-6) — formula C10H18ClN3O2, molecular weight 247.72; category organic chemicals.
| CAS Number | 13909-09-6 |
|---|---|
| Molecular Formula | C10H18ClN3O2 |
| Molecular Weight | 247.72 |
| Melting Point | 147 °F (NTP, 1992) |
| LogP | log Kow = 3.30 |
| Applications | Uses: An antineoplastic agent which functions as an alkylating agent., Investigational drug., General Manufacturing Information: Withdrawn as Investigational New Drug Application, Methyl derivative of lomustine, A methylated derivative of carmustine with antineoplastic activity. |
| Category | Organic Chemicals |
Documented applications: Uses: An antineoplastic agent which functions as an alkylating agent., Investigational drug., General Manufacturing Information: Withdrawn as Investigational New Drug Application, Methyl derivative of lomustine, A methylated derivative of carmustine with antineoplastic activity..
semustine is a carbon-based organic compound with CAS registry number 13909-09-6 and molecular formula C10H18ClN3O2 (molecular weight 247.72), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13909-09-6
Its molecular formula C10H18ClN3O2 comprises 10 C, 18 H, 1 Cl, 3 N, 2 O atoms.
Also known as: semustine · 塞莫斯汀
Category: organic chemicals
The CAS registry number of semustine is 13909-09-6.
Molecular formula C10H18ClN3O2, molecular weight 247.72.
It is also registered under: semustine, 塞莫斯汀.
Recorded applications: Uses: An antineoplastic agent which functions as an alkylating agent., Investigational drug., General Manufacturing Information: Withdrawn as Investigational New Drug Application, Methyl derivative of lomustine, A methylated derivative of carmustine with antineoplastic activity..
Category: Organic Chemicals.
Independent reference data for semustine (CAS 13909-09-6), compiled from public chemistry databases.
| CAS Registry Number | 13909-09-6 |
|---|---|
| PubChem CID | 5198 |
| Molecular formula | C10H18ClN3O2 |
| IUPAC name | 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea |
| UNII (FDA) | 2281H4FBL9 |
| Molecular Weight | 247.72 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.1087545 |
| Monoisotopic Mass | 247.1087545 |
| Topological Polar Surface Area | 61.8 |
| Heavy Atom Count | 16 |
| Melting Point | 147 °F (NTP, 1992) |
|---|---|
| Melting Point | 64 °C (decomposes) |
| Solubility | Water 0.09 (mg/mL) |
| Solubility | 0.1 N HCI 0.09 (mg/mL) |
| Solubility | 0.1 N NaOH 0.09 (mg/mL) |
| Solubility | 10% Ethanol 0.10 (mg/mL) |
| Solubility | DMSO 250.00 (mg/mL) |
| Solubility | Chloroform 667.00 (mg/mL) |
| LogP | log Kow = 3.30 |
| LogP | 3.25 |
semustine; 13909-09-6; Methyl-CCNU; 1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; Semustina; MeCCNU; METHYL CCNU; N-(2-Chloroethyl)-N'-(4-methylcyclohexyl)-N-nitrosourea; Semustinum; ICIG 1110; methyl lomustine; Lomustine, methyl; NSC 95441; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-; NCI-C04955; DTXSID8031603
| Reported hazard statements | H300 (100%), H311 (100%), H315 (100%), H319 (100%), H331 (100%), H335 (100%), H350 (100%), H360 (100%) |
|---|
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
semustine · CAS 13909-09-6 · C10H18ClN3O2. UNII 2281H4FBL9. Melting Point: 147 °F (NTP, 1992); Melting Point: 64 °C (decomposes); Solubility: Water 0.09 (mg/mL).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 塞莫斯汀