塞莫斯汀（CAS 13909-09-6）：分子式 C10H18ClN3O2、分子量 247.72。
| CAS号 | 13909-09-6 |
|---|---|
| 分子式 | C10H18ClN3O2 |
| 分子量 | 247.72 |
| 熔点 | 147 °F (NTP, 1992) |
| LogP | log Kow = 3.30 |
| 应用领域 | 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antineoplastic agent which functions as an alkylating agent.、Investigational drug.、General Manufacturing Information: Withdrawn as Investigational New Drug Application、Methyl derivative of lomustine、A methylated derivative of carmustine with antineoplastic activity. |
登记用途：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antineoplastic agent which functions as an alkylating agent.、Investigational drug.、General Manufacturing Information: Withdrawn as Investigational New Drug Application、Methyl derivative of lomustine、A methylated derivative of carmustine with antineoplastic activity.。
塞莫斯汀 是一种化工化合物，登记 CAS 号为 13909-09-6，分子式 C10H18ClN3O2（分子量 247.72）。
登记 CAS 号：13909-09-6
其分子式 C10H18ClN3O2 由 10 个碳、18 个氢、1 个氯、3 个氮、2 个氧 组成。
别名/同义词：塞莫斯汀 · semustine
塞莫斯汀 的 CAS 登记号为 13909-09-6。
分子式 C10H18ClN3O2，分子量 247.72。
别名/同义词：塞莫斯汀、semustine。
登记用途：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antineoplastic agent which functions as an alkylating agent.、Investigational drug.、General Manufacturing Information: Withdrawn as Investigational New Drug Application、Methyl derivative of lomustine、A methylated derivative of carmustine with antineoplastic activity.。
塞莫斯汀（CAS 13909-09-6）的独立参考数据，整理自公开化学数据库。
| 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).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: semustine