Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00119)
Name
Chlorambucil
Synonyms    Click to Show/Hide the Synonyms of This API
chlorambucil; 305-03-3; Ambochlorin; Chloroambucil; Leukeran; Chloraminophen; Chlorbutin; Chloraminophene; Chlorobutine; Amboclorin; Chlorbutine; Chlorobutin; Linfolizin; Linfolysin; Ecloril; Elcoril; Phenylbutyric acid nitrogen mustard; Chlocambucil; Lympholysin; Leukersan; Leukoran; 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid; Cb l348; NSC-3088; CB 1348; Phenylbuttersaeure-lost; Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-; NSC 3088; Rcra waste number U035; NCI-C03485; 4-[p-[Bis(2-chloroethyl)amino]phenyl]butyric acid; chlorambucilddv; N,N-Di-2-chloroethyl-gamma-p-aminophenylbutyric acid; 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; 4-(Bis(2-chloroethyl)amino)benzenebutanoic acid; p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid; 4-(p-Bis(beta-chloroethyl)aminophenyl)butyric acid; UNII-18D0SL7309; 4-(4-(Bis(2-chloroethyl)amino)phenyl)butanoic acid; CHEBI:28830; NSC3088; 4-[Bis(2-chloroethyl)amino]benzenebutyric acid; 4-[Bis(2-chloroethyl)amino]benzenebutanoic acid; CHEMBL515; gamma-[p-Di(2-chloroethyl)aminophenyl]butyric acid; Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-; MLS000028443; Chloorambucol; Chlorbutinum; Elcorin; 4-(Bis(2-chloroethyl)amino)phenylbutyric acid; 4-(p-(Bis(2-chloroethyl)amino)phenyl)butyric acid; gamma-(p-Di(2-chloroethyl)aminophenyl)butyric acid; Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)-; MFCD00021783; 18D0SL7309; Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna; NCGC00015199-08; Chlorambucilum; Clorambucile; Clorambucilo; CAS-305-03-3; SMR000058372; Clorambucile [DCIT]; DSSTox_CID_263; Leukeran tablets; 4-[Bis(2-chloroethyl)amino]phenylbutyric acid; DSSTox_RID_75472; DSSTox_GSID_20263; 4-(4-[Bis(2-chloroethyl)amino]phenyl)butyric acid; .gamma.-[p-Di(2-chloroethyl)aminophenyl]butyric acid; Butyric acid, 4-[p-[bis(2-chloroethyl)amino]phenyl]-; Chlorambucilum [INN-Latin]; Clorambucilo [INN-Spanish]; p-N,N-Di-(.beta.-chloroethyl)aminophenyl butyric acid; N,N-Di-2-chloroethyl-.gamma.-p-aminophenylbutyric acid; CB-1348; CCRIS 126; Phenylbuttersaeure-lost [German]; HSDB 3026; SR-01000000062; LEUKERAN (TN); 4-[4-[Bis(2-chloroethyl)amino]phenyl]butyric Acid; EINECS 206-162-0; .gamma.-(p-bis(2-chloroethyl)aminophenyl)butyric acid; .gamma.-[p-bis(2-chloroethyl)aminophenyl]butyric acid; 4-(p-Bis(.beta.-chloroethyl)aminophenyl)butyric acid; 4-[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid; RCRA waste no. U035; Butyric acid, 4-(p-[bis(2-chloroethyl)amino]phenyl)-; BRN 0999011; Chlorambucil [USP:INN:BAN]; AI3-26083; p-(N,N-Di-2-chlorethylaminophenyl)butyric acid; para-(Di(2-chloroethyl)aminophenyl)butyric acid; Chlorambucil,(S); gamma-(p-bis(2-chloroethyl)aminophenyl)butyricacid; Butanoic acid, 4-(bis(2-chloroethyl)amino) benzene; gamma-(p-Bis(2-chloroethyl)aminophenyl)butyric acid; phenyl)butanoic acid; p-N,N-Di-(beta-chloroethyl)aminophenyl butyric acid; Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl); para-N,N-Di(beta-chloroethyl)aminophenyl butyric acid; N,N-Di-2-chloroethyl-gamma-para-aminophenyl butyric acid; Opera_ID_51; PubChem21331; Spectrum_000118; Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna [Czech]; Prestwick0_001079; Prestwick1_001079; Prestwick2_001079; Prestwick3_001079; Spectrum2_000065; Spectrum3_000336; Spectrum4_000273; Spectrum5_000677; Lopac-C-0253; Epitope ID:139977; SCHEMBL4308; Lopac0_000227; WLN: QV3R DN2G2G; BSPBio_001098; BSPBio_001971; KBioGR_000766; KBioSS_000558; 4-14-00-01715 (Beilstein Handbook Reference); MLS001076130; DivK1c_000688; SPECTRUM1500171; Chlorambucil (JAN/USP/INN); SPBio_000249; SPBio_002999; BPBio1_001208; GTPL7143; ZINC1115; DTXSID7020263; HMS502C10; KBio1_000688; KBio2_000558; KBio2_003126; KBio2_005694; KBio3_001191; NINDS_000688; HMS1571G20; HMS1920M15; HMS2090M19; HMS2091A22; HMS2098G20; HMS2235A04; HMS3259I10; HMS3372O04; HMS3652P08; Pharmakon1600-01500171; 4-(4-(bis(2-chloroethyl)amino); BCP28394; NCI-3088; Tox21_110096; Tox21_201390; Tox21_302996; BDBM50003677; CCG-39872; NSC756674; AKOS024319346; Tox21_110096_1; Chlorambucil, purum, >=98.0% (T); CS-3118; DB00291; GS-6200; LP00227; MCULE-2575006904; NC00555; NSC-756674; SDCCGSBI-0050215.P005; IDI1_000688; NCGC00015199-01; NCGC00015199-02; NCGC00015199-03; NCGC00015199-04; NCGC00015199-05; NCGC00015199-06; NCGC00015199-07; NCGC00015199-09; NCGC00015199-10; NCGC00015199-11; NCGC00015199-12; NCGC00015199-13; NCGC00015199-14; NCGC00015199-15; NCGC00015199-16; NCGC00015199-17; NCGC00015199-19; NCGC00015199-20; NCGC00023250-00; NCGC00023250-03; NCGC00023250-04; NCGC00023250-05; NCGC00023250-06; NCGC00023250-07; NCGC00023250-08; NCGC00023250-09; NCGC00023250-10; NCGC00256464-01; NCGC00258941-01; AK327627; BP-24028; HY-13593; NCI60_002639; SBI-0050215.P004; AB0093202; DB-047794; AB00051938; EU-0100227; FT-0617365; ST50410766; SW197258-4; A14252; A18607; C 0253; C06900; D00266; AB00051938-14; AB00051938-15; AB00051938_16; 305C033; Q415939; 4[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid; Butanoic acid, 4-(bis(2-chloroethyl)amino)benzene-; SR-01000000062-2; SR-01000000062-4; SR-01000000062-7; W-106940; .gamma.-(p-bis(2-chloroethyl)aminophenyl)butyricacid; BRD-K29458283-001-04-2; BRD-K29458283-001-05-9; BRD-K29458283-001-17-4; 4-(4-[Bis(2-chloroethyl)amino]phenyl)butanoic acid #; Z1558572529; 4-[4-(N,N-bis(2-chloroethyl)-amino]phenyl)butanoic acid; Chlorambucil, European Pharmacopoeia (EP) Reference Standard; Chlorambucil, United States Pharmacopeia (USP) Reference Standard
Clinical Status
Approved
Disease Indication Chronic lymphocytic leukaemia ICD-11: 2A82 [1]
PubChem CID
2708
Formula
C14H19Cl2NO2
Canonical SMILES
C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl
InChI
1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
InChIKey
JCKYGMPEJWAADB-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=2708"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 304.2 Topological Polar Surface Area 40.5
XlogP 1.7 Complexity 250
Heavy Atom Count 19 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Chlorambucil 2 mg tablet Click to Show/Hide the Full List of Formulation(s):          2 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
Stearic acid; Anhydrous lactose; Ferric oxide red; Ferric oxide yellow; Titanium dioxide; Silicon dioxide; Cellulose, microcrystalline; Hypromelloses; Polyethylene glycols
                   Dosage Form Oral Tablet
                   Company Aspen Global
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Stearic acid DIG Info Phosphodiesterase 3A (IC50 = 3.1 uM) [2]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
             Drug Formulation 2 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
Stearic acid; Anhydrous lactose; Ferric oxide red; Ferric oxide yellow; Titanium dioxide; Silicon dioxide; Cellulose, microcrystalline; Hypromelloses; Polyethylene glycol
                   Dosage Form Oral Tablet
                   Company GlaxoSmithKline
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Stearic acid DIG Info Phosphodiesterase 3A (IC50 = 3.1 uM) [2]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved chlorambucil from the official website of the U.S. Food and Drug Administration.
2 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
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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