5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,7-[[(2-amino-4-thiazolyl)- acetyl]amino]-3-[[[1-[2-(dimethylamino)- ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester,dihydrochloride,(6R,7R)- (CAS 95789-30-3) — formula C27H39Cl2N9O7S3, molecular weight 768.8; category organic chemicals.
| CAS Number | 95789-30-3 |
|---|---|
| Molecular Formula | C27H39Cl2N9O7S3 |
| Molecular Weight | 768.8 |
| Category | Organic Chemicals |
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,7-[[(2-amino-4-thiazolyl)- acetyl]amino]-3-[[[1-[2-(dimethylamino)- ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester,dihydrochloride,(6R,7R)- is a carbon-based organic compound with CAS registry number 95789-30-3 and molecular formula C27H39Cl2N9O7S3 (molecular weight 768.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 95789-30-3
Its molecular formula C27H39Cl2N9O7S3 comprises 27 C, 39 H, 2 Cl, 9 N, 7 O, 3 S atoms.
Also known as: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,7-[[(2-amino-4-thiazolyl)- acetyl]amino]-3-[[[1-[2-(dimethylamino)- ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester,dihydrochloride,(6R,7R)- · Cefotiamhexetil hydrochloride
Category: organic chemicals
The CAS registry number of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,7-[[(2-amino-4-thiazolyl)- acetyl]amino]-3-[[[1-[2-(dimethylamino)- ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester,dihydrochloride,(6R,7R)- is 95789-30-3.
Molecular formula C27H39Cl2N9O7S3, molecular weight 768.8.
It is also registered under: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,7-[[(2-amino-4-thiazolyl)- acetyl]amino]-3-[[[1-[2-(dimethylamino)- ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester,dihydrochloride,(6R,7R)-, Cefotiamhexetil hydrochloride.
Category: Organic Chemicals.
Independent reference data for 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,7-[[(2-amino-4-thiazolyl)- acetyl]amino]-3-[[[1-[2-(dimethylamino)- ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester,dihydrochloride,(6R,7R)- (CAS 95789-30-3), compiled from public chemistry databases.
| CAS 号 | 95789-30-3 |
|---|---|
| PubChem CID | 175647 |
| 分子式 | C27H39Cl2N9O7S3 |
| IUPAC 名称 | 1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;dihydrochloride |
| UNII（FDA） | 3N1X7E8CLE |
| Molecular Weight | 768.8 |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 16 |
| Exact Mass | 767.1511635 |
| Monoisotopic Mass | 767.1511635 |
| Topological Polar Surface Area | 276 |
| Heavy Atom Count | 48 |
盐酸头孢替安己酯； 95789-30-3；头孢替安己酯二盐酸盐；盐酸头孢替安酯； CTM-HE； 3N1X7E8CLE；头孢替安1-(环己氧基羰氧基)乙酯二盐酸盐；飞燕：31373； DTXSID90241980； Pansporin-T；参考化学：124241； DTXCID20164471；头孢替安酯（盐酸盐）；盐酸头孢替安酯[JAN]；潘孢菌素T；盐酸头孢替安酯（非对映体混合物）
| 已通报的危害声明 | H317 (100%), H334 (100%) |
|---|
头孢替安海替酯盐酸盐 · CAS 95789-30-3 · C27H39Cl2N9O7S3. UNII 3N1X7E8CLE.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.