Cas no 79580-20-4 (mecillinam)
mecillinam structure
Product Name:mecillinam
CAS No:79580-20-4
MF:C15H23N3O3S
MW:325.426422357559
CID:984755
PubChem ID:36273
Update Time:2025-04-20
mecillinam Chemical and Physical Properties
Names and Identifiers
-
- mecillinam
- Mecillinam;Coactin;FL 1060
- CAS-32887-01-7
- Amdinocillin [USAN]
- mecilinam
- C21545
- CHEBI:51208
- (2S,5R,6R)-6-(((Hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
- (2S,5R,6R)-6-(((E)-Azepan-1-ylmethylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- Mecillinamum
- SELECIDIN
- Penicillin HX
- (2S,5R,6R)-6-{[(1E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- CHEMBL258646
- AKOS022185296
- MECILLINAM [MART.]
- MECILLINAM [WHO-DD]
- MLS001424041
- DTXSID3022584
- Tox21_112209_1
- Tox21_112209
- 6beta-(((azepan-1-yl)methylidene)amino)-2,2-dimethylpenam-3alpha-carboxylic acid
- Hexacillin
- BRD-K41051431-001-01-6
- Mecilinamo
- CCG-100873
- (2S,5R,6R)-6-((azepan-1-ylmethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
- Amdinocillin (USAN)
- DB01163
- MECILLINAM (MART.)
- HMS2051E14
- AMDINOCILLIN [MI]
- CS-0017618
- (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- HY-A0269
- Amdinocillin (~85%)
- Mecillinam, VETRANAL(TM), analytical standard
- FL 1060
- 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2alpha,5alpha,6beta)0-
- GTPL12813
- Coactin
- NS00011614
- J01CA11
- 6-((Hexahydro-1H-azepin-1-yl)methyleneamino)penicillanic acid
- 32887-01-7
- Mecillinamum [INN-Latin]
- NS00070557
- UNII-V10579P3QZ
- CHEMBL530
- Mecillinam [INN]
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
- NCGC00164583-02
- Amdinocillin [USAN:USP]
- SCHEMBL34388
- EINECS 251-277-1
- D02888
- FS-4354
- Q13019044
- Ro 10-9070
- Selexidin
- AKOS040744826
- (2S,5R,6R)-6-((E)-azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- SMR000466361
- s6584
- Ro-10-9070
- AMDINOCILLIN [ORANGE BOOK]
- FL-1060
- (2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- MECILLINAM [JAN]
- Mecilinamo [INN-Spanish]
- NC00123
- MLS000759478
- MICILLINAM
- (2S,5R,6R)-6-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID.
- V10579P3QZ
- 6beta-{[(azepan-1-yl)methylidene]amino}-2,2-dimethylpenam-3alpha-carboxylic acid
- 79580-20-4
- Coactin (TN)
- NCGC00188988-01
- DTXCID202584
- Mecillinam (INN)
- SCHEMBL34387
- AB01209740-01
- Ro 109070
- AMDINOCILLIN
- AC-32602
- NCGC00164583-01
- 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.)0-
- MFCD00056869
- 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylic acid
- BWWVAEOLVKTZFQ-NTZNESFSSA-N
-
- Inchi: 1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1
- InChI Key: BWWVAEOLVKTZFQ-ISVUSNJMSA-N
- SMILES: S1C(C)(C)[C@H](C(=O)O)N2C([C@H]([C@@H]12)/N=C/N1CCCCCC1)=O
Computed Properties
- Exact Mass: 325.14601278g/mol
- Monoisotopic Mass: 325.14601278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 500
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 98.5?2
Experimental Properties
- LogP: 1.3
mecillinam Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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