Basic information
- CAS
2412952-96-4- Standard SMILES
CN(C)C[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CSCCC(=O)[O-])O[C@@H]8CSCCC(=O)[O-])O[C@@H]7CSCCC(=O)[O-])O[C@@H]6CSCCC(=O)[O-])O[C@@H]5CSCCC(=O)[O-])O[C@@H]4CSCCC(=O)[O-])O[C@@H]3CSCCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
NBETVJVWYWQCLZ-XZQWKAJDSA-N- Molecular formula
- C71H106NNa7O46S7
- Average molar mass
- 2,095 g/mol
- Monoisotopic mass
- 2,093.3314831
Names & identifiers
- Preferred name
- Sugammadex Impurity 56
- IUPAC
- heptasodium;3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30-hexakis(2-carboxylatoethylsulfanylmethyl)-40-[(dimethylamino)methyl]-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-35-yl]methylsulfanyl]propanoate
- English name
- Org198786-1
- Molecular formula
- C71H114NNaO46S7
- Molecular weight
- 1965.06
Names & synonyms
2412952-96-4Dimethyl Amino SugammadexSugammadex Impurity 56F2T53B7MZLOrg198786-1Sugammadex Sodium Impurity Org198786-1Org198786-1(RRT0.35)Sugammadex Impurity 89Sugammadex Impurity 18 Sodium saltSugammadex Impurity 35(Org198786-1 )
Database identifiers
- CAS
2412952-96-4- PubChem CID
- 175674736
- UNII
- F2T53B7MZL
Properties
Computed structural properties
- Topological polar surface area
- 933 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 54
- Rotatable bonds
- 30
- Heavy atoms
- 132
- Formal charge
- 0
- Complexity
- 3,330
Chemistry & industry
Suppliers9 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳晴天生物技术有限公司18823167005 18162969855 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…