Compound: Cyclen
SMILES: N1CCNCCNCCNCC1
InChIKey: QBPPRVHXOZRESW-UHFFFAOYSA-N
Synonyms: Cyclen, 1,4,7,10-Tetraazacyclododecane, 294-90-6, tetraaza-12-crown-4, 964584YO2O, NSC-629374, CHEBI:37391, DTXSID60183621, RefChem:129186, DTXCID00106112, 425-450-9, 608-365-3, 1,4,7,10-tetrazacyclododecane, MFCD00066281, NSC 629374, KRYPTOFIX 11 AZA, [12]aneN4, NSC629374, Gadobutrol Impurity 11, BRN 0606114, UNII-964584YO2O, 5-26-11-00023 (Beilstein Handbook Reference), Cyclen, 97%, CYCLEN [MI], EC 425-450-9, EC 608-365-3, SCHEMBL22003, MLS000069489, CHEMBL19880, orb1297671, SCHEMBL1781707, SCHEMBL1782104, SCHEMBL1782381, SCHEMBL1782490, SCHEMBL1783194, Gadobutrol Impurity 68; Cyclen, 1,4,7,10 Tetrazacyclododecane, 1,4,7,10 tetraazacyclododecane, 1,4,7,10Tetraaza-Cyclododecane, 1,4,7,10-tetraaza cyclododecane, SBB056221, AKOS015854526, AC-8363, CCG-266373, CS-W007656, EBC-152287, FC20678, GS-0907, HY-W007656, NCGC00018128-01, NCGC00018128-02, NCGC00018128-03, BP-21078, BP-21532, NCI60_009514, SMR000059056, ST085873, SY020268, NS00007497, S4927, T1874, EN300-136271, F151845, A1-01690, Q63390538, Z1255383182
Theoretical properties:
molecular_formula: C8H20N4
molecular_weight: 172.27 g/mol
exact_mass: 172.16879665 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 12
topological_polar_surface_area: 48.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "1,4,7,10-tetraazacyclododecane is an azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms. It is a saturated organic heteromonocyclic parent, a crown amine and an azacycloalkane.", "chebi": "An azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms.", "chembl": "Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Norgestimate, sold under the brand name Ortho Tri-Cyclen among others, is a progestin medication which is used in birth control pills for women and in menopausal hormone therapy. The medication is available in combination with an estrogen and is not available alone. It is taken by mouth.\nSide effects of the combination of an estrogen and norgestimate include menstrual irregularities, headaches, nausea, abdominal pain, breast tenderness, mood changes, and others. Norgestimate is a progestin, or a synthetic progestogen, and hence is an agonist of the progesterone receptor, the biological target of progestogens like progesterone. It has very weak androgenic activity and no other important hormonal activity. The medication is a prodrug of norelgestromin and to a lesser extent of levonorgestrel in the body.\nNorgestimate was patented in 1965 and introduced for medical use, specifically in birth control pills, in 1986. It was introduced for use in menopausal hormone therapy in the United States in 1999. Norgestimate is sometimes referred to as a \"third-generation\" progestin. It is marketed in birth control pills widely throughout the world, whereas it is available for use in menopausal hormone therapy only in the United States and Brazil. Norgestimate is available as a generic medication. In 2023, the combination with ethinylestradiol was the 97th most commonly prescribed medication in the United States, with more than 7 million prescriptions."}