Basic information
- CAS
5451-44-5- Standard SMILES
O=S(=O)(c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1- InChIKey
FCGCYYIJRZRGDT-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4S2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.08644947
Names & identifiers
- Preferred name
- 1,4-Bis(phenylsulfonyl)-1,4-diazepane
- IUPAC
- 1,4-bis(benzenesulfonyl)-1,4-diazepane
- English name
- 1,4-bis(benzenesulfonyl)-1,4-diazepane
- Molecular formula
- C17H20N2O4S2
- Molecular weight
- 380.48
Names & synonyms
5451-44-51,4-bis(phenylsulfonyl)-1,4-diazepaneDTXSID30280737RefChem:220254DTXCID402318911,4-bis(benzenesulfonyl)-1,4-diazepane1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)-1,4-Di(benzenesulfonyl)-1,4-diazepaneNSC18427ChemDiv3_005447Oprea1_342294MLS001196092
Show more names
Fasudil Impurity 48Fasudil intermediate impurity 5hexahydro-1,4-bis(phenylsulfonyl)-1H-1,4-Diazepine
CHEMBL2135911Fasudil Hydrochloride Impurity GHMS1488H13HMS2877K03NSC47972CCG-24208NSC-18427NSC-47972
Database identifiers
- CAS
5451-44-5- PubChem CID
- 227136
- DTXSID
DTXSID30280737- ChEMBL
CHEMBL2135911
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 569
Chemistry & industry
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
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]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海相辉医药科技有限公司[email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [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
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