Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00372)
Name
Lomustine
Synonyms    Click to Show/Hide the Synonyms of This API
lomustine; 13010-47-4; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea; Belustine; Cecenu; Chloroethylcyclohexylnitrosourea; Urea, N-(2-chloroethyl)-N'-cyclohexyl-N-nitroso-; Lomustina; Lomustinum; Lomustinum [INN-Latin]; Lomustina [INN-Spanish]; N-(2-Chloroethyl)-N'-cyclohexyl-N-nitrosourea; 1-(2-Chloroethyl)-3-cyclohexylnitrosourea; Gleostine; Cyclohexyl chloroethyl nitrosourea; SRI 2200; NSC 79037; NSC-79037; ICIG 1109; NCI-C04740; NSC79037; (Chloro-2-ethyl)-1-cyclohexyl-3-nitrosourea; RB 1509; (Cloro-2-etil)-1-cicloesil-3-nitrosourea; UNII-7BRF0Z81KG; Lomustine (CeeNU); 1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-; CHEBI:6520; Urea, 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-; 7BRF0Z81KG; CCNU; NSC 79037; 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea; NCGC00167466-01; DSSTox_CID_3222; 3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea; DSSTox_RID_76930; DSSTox_GSID_23222; C9H16ClN3O2; CCRIS 860; CAS-13010-47-4; CCNU [Chloroethyl nitrosoureas]; HSDB 6519; SR-05000001497; EINECS 235-859-2; BRN 2125058; (Cloro-2-etil)-1-cicloesil-3-nitrosourea [Italian]; Lomustine [USAN:INN:BAN]; AI3-52779; Gleostine (TN); Lomustine, >=98%; Lomustine (USP/INN); 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea [Chloroethyl nitrosoureas]; CHEMBL514; NCIMech_000220; SCHEMBL3995; WLN: L6TJ AMVNNO&2G; GTPL7214; DTXSID2023222; HMS2090A17; HMS3655I16; Pharmakon1600-01502301; BCP06551; ZINC3831006; Tox21_112470; BDBM50247919; MFCD00012392; NSC759635; AKOS005766022; Tox21_112470_1; AC-8062; ACN-048517; CCG-213022; CS-1461; DB01206; DS-1269; NSC-759635; NCGC00167466-02; NCGC00167466-03; AK-72901; BR-72901; HY-13669; NCI60_041743; AB0013165; DB-017097; AM20070540; FT-0627972; SW220040-1; A-2090; C07079; D00363; AB00173884-02; AB00173884-03; AB00173884-04; AB00173884_05; AB00173884_06; 010L474; A806019; Q415378; SR-05000001497-1; SR-05000001497-3; Urea, 1-(2-chloroethyl)-3-cyclohexyl)-1-nitroso-; W-108355; Lomustine, European Pharmacopoeia (EP) Reference Standard; Lomustine, United States Pharmacopeia (USP) Reference Standard; 1-(2-Chloroethyl)-1-[(cyclohexylamino)carbonyl]-2-oxohydrazine #; 2-chloro-N-(cyclohexyl-C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine
Clinical Status
Approved
Disease Indication Brain cancer ICD-11: 2A00 [1]
PubChem CID
3950
Formula
C9H16ClN3O2
Canonical SMILES
C1CCC(CC1)NC(=O)N(CCCl)N=O
InChI
1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChIKey
GQYIWUVLTXOXAJ-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=3950"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 233.69 Topological Polar Surface Area 61.8
XlogP 2.8 Complexity 219
Heavy Atom Count 15 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Lomustine 10 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Mannitol
                   Dosage Form Oral Capsule
                   Company NextSource Biotechnology
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Lomustine 100 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Mannitol
                   Dosage Form Oral Capsule
                   Company NextSource Biotechnology
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Lomustine 40 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Mannitol
                   Dosage Form Oral Capsule
                   Company NextSource Biotechnology
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
          Lomustine 5 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Mannitol
                   Dosage Form Oral Capsule
                   Company NextSource Biotechnology
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved lomustine from the official website of the U.S. Food and Drug Administration.
2 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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