Cas no 575-47-3 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, (2S,5R,6R)-(9CI))
![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, (2S,5R,6R)-(9CI) structure](https://ossimg.kuujia.com/scimg/1000/575-47-3x500.png)
575-47-3 structure
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, (2S,5R,6R)-(9CI)
CAS No:575-47-3
MF:C14H21N2NaO4S
MW:336.382313489914
CID:377456
PubChem ID:23674508
Update Time:2025-04-19
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, (2S,5R,6R)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, (2S,5R,6R)-(9CI)
- sodium 6-hexanamidopenicillanate
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((1-oxohexyl)amino)-, monosodium salt, (2S-(2alpha,5alpha,6beta))-
- Amylpenicillin sodium
- sodium 6-(hexanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- NS00079820
- 575-47-3
-
- Inchi： 1S/C14H22N2O4S.Na/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16;/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20);/q;+1/p-1
- InChI Key： PGGDFLXSXDLMKV-UHFFFAOYSA-M
- SMILES： S1C(C)(C)C(C(=O)[O-])N2C(C(C12)NC(CCCCC)=O)=O.[Na+]
Computed Properties
- Exact Mass: 336.112
- Monoisotopic Mass: 336.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 472
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 115A^2
Experimental Properties
- Melting Point: 188° (dec)
- Boiling Point: 593.1°Cat760mmHg
- Flash Point: 312.5°C
- Specific Rotation: D23 +319°
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, (2S,5R,6R)-(9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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