4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenylacetyl)amino- (2S,5R,6R)-, compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1), monohydrate (CAS 5928-83-6) — formula C48H58N6O9S2, molecular weight 927.1; category organic chemicals.
| CAS Number | 5928-83-6 |
|---|---|
| Molecular Formula | C48H58N6O9S2 |
| Molecular Weight | 927.1 |
| Category | Organic Chemicals |
4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenylacetyl)amino- (2S,5R,6R)-, compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1), monohydrate is a carbon-based organic compound with CAS registry number 5928-83-6 and molecular formula C48H58N6O9S2 (molecular weight 927.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5928-83-6
Its molecular formula C48H58N6O9S2 comprises 48 C, 58 H, 6 N, 9 O, 2 S atoms.
Also known as: 4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenylacetyl)amino- (2S,5R,6R)-, compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1), monohydrate · 4-Thia-1-氮杂双环3.2.0庚烷-2-甲酸，3,3-二甲基-7-氧代-6-(苯乙酰基)氨基-(2S,5R,6R)-，化合物。与 N,N-双(苯甲基)-1,2-乙二胺 (2:1)，一水合物
Category: organic chemicals
The CAS registry number of 4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenylacetyl)amino- (2S,5R,6R)-, compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1), monohydrate is 5928-83-6.
Molecular formula C48H58N6O9S2, molecular weight 927.1.
It is also registered under: 4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenylacetyl)amino- (2S,5R,6R)-, compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1), monohydrate, 4-Thia-1-氮杂双环3.2.0庚烷-2-甲酸，3,3-二甲基-7-氧代-6-(苯乙酰基)氨基-(2S,5R,6R)-，化合物。与 N,N-双(苯甲基)-1,2-乙二胺 (2:1)，一水合物.
Category: Organic Chemicals.
Independent reference data for 4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenylacetyl)amino- (2S,5R,6R)-, compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1), monohydrate (CAS 5928-83-6), compiled from public chemistry databases.
| CAS 号 | 5928-83-6 |
|---|---|
| PubChem CID | 22298952 |
| 分子式 | C48H58N6O9S2 |
| IUPAC 名称 | N,N'-dibenzylethane-1,2-diamine;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);hydrate |
| UNII（FDA） | C89ZJF1SVE |
| Molecular Weight | 927.1 |
|---|---|
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 15 |
| Exact Mass | 926.37066980 |
| Monoisotopic Mass | 926.37066980 |
| Topological Polar Surface Area | 249 |
| Heavy Atom Count | 65 |
Penicillin G benzathine monohydrate; Benzathine penicillin G hydrate; UNII-C89ZJF1SVE; C89ZJF1SVE; Benzathine benzylpenicillin monohydrate; Benzathine benzylpenicillin monohydrate [WHO-DD]; RefChem:202539; 5928-83-6; Q27275317
4-Thia-1-氮杂双环3.2.0庚烷-2-甲酸，3,3-二甲基-7-氧代-6-(苯乙酰基)氨基-(2S,5R,6R)-，化合物。与 N,N-双(苯甲基)-1,2-乙二胺 (2:1)，一水合物 · CAS 5928-83-6 · C48H58N6O9S2. UNII C89ZJF1SVE.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-Thia-1-氮杂双环3.2.0庚烷-2-甲酸，3,3-二甲基-7-氧代-6-(苯乙酰基)氨基-(2S,5R,6R)-，化合物。与 N,N-双(苯甲基)-1,2-乙二胺 (2:1)，一水合物