Basic information
- CAS
905712-22-3- Standard SMILES
CC(C)N=C(NC(C)C)SCC(=O)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12- InChIKey
CGKQBDIOPXYUGG-IUODEOHRSA-N- Molecular formula
- C17H24N4O4S2
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.12389761
Names & identifiers
- Preferred name
- Cefathiamidine Impurity D
- IUPAC
- [2-[[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]amino]-2-oxoethyl] N,N'-di(propan-2-yl)carbamimidothioate
- English name
- CefathiaMidine Lactone
- Molecular formula
- C17H24N4O4S2
- Molecular weight
- 412.53
Names & synonyms
Cefathiamidine Impurity D905712-22-3JJP73F9YBY2-(((5aR,6R)-1,7-dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)amino)-2-oxoethyl N,N'-diisopropylcarbamimidothioateCarbamimidothioic acid, N,N'-bis(1-methylethyl)-, 2-oxo-2-[[(5aR,6R)-1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino]ethyl ester2-(((5aR,6R)-1,7-dioxo-1,4,5a,6-tetrahydro-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)amino)-2-oxoethyl (E)-N,N'-diisopropylcarbamimidothioate2-Oxo-2-[[(5aR,6R)-1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino]ethyl N,N'-bis(1-methylethyl)carbamimidothioateCefathiaMidine LactoneCefathiamidine CP Impurity DCefathiamidine Lactone HydrochlorideCefathiamidine Impurity D:CefathiaMidine Lactone[2-[[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]amino]-2-oxoethyl] N,N'-di(propan-2-yl)carbamimidothioate
Show more names
(Z)-2-(((5aR,6R)-1,7-dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)amino)-2-oxoethyl N,N'-diisopropylcarbamimidothioate
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 720
Physicochemical properties
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.20(Predicted)
Chemistry & industry
Suppliers23 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
Related reactions
0 records
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Compound notes
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