4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with (alphaR)-alpha-((1S)-1-(methylamino)ethyl)benzenemethanol (1:1)
Completing data — refresh the page later to see the latest
Basic information
- CAS
7177-45-9- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CN[C@@H](C)[C@H](O)c1ccccc1- InChIKey
ATTKGDVWJGVOJH-TWKDTOHUSA-N- Molecular formula
- C26H33N3O5S
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.21409234
Names & identifiers
- Preferred name
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with (alphaR)-alpha-((1S)-1-(methylamino)ethyl)benzenemethanol (1:1)
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
Names & synonyms
7177-45-9RefChem:10716244-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with (alphaR)-alpha-((1S)-1-(methylamino)ethyl)benzenemethanol (1:1)Penicillin G ephedrine saltTersavinEphedrine penicillinEINECS 230-538-3EPHEDRINE PENICILLIN GC2CU7SYA7YDTXSID10992427Ephedrine, compd. with penicillin G4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, compd with ephedrine (1:1)
Show more names
(2S,5R,6R)-6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol (1/1)4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, compd. with ephedrine4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with (alphaR)-alpha-[(1S)-1-(methylamino)ethyl]benzenemethanol4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-, compd. with [R-(R*,S*)]-alpha-[1-(methylamino)ethyl]benzenemethanol6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)Benzenemethanol, alpha-[(1S)-1-(methylamino)ethyl]-, (alphaR)-, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (salt)Benzenemethanol, alpha-[1-(methylamino)ethyl]-, [R-(R*,S*)]-, [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (salt)
Database identifiers
- CAS
7177-45-9- PubChem CID
- 23564
- DTXSID
DTXSID10992427- UNII
- C2CU7SYA7Y
- EC Number
- 230-538-3
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 651
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…