Cas no 149261-30-3 (Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1:1:2))
![Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1:1:2) structure](https://ossimg.kuujia.com/scimg/149500/149261-30-3x500.png)
149261-30-3 structure
Product Name:Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1:1:2)
CAS No:149261-30-3
MF:C19H30Cl2N6O7S2
MW:589.513499736786
CID:189303
PubChem ID:5491422
Update Time:2025-04-19
Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1:1:2) Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1:1:2)
- LogP
- (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,chloride,dihydrate,hydro
- Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[
- Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1
- Cefepime dihydrochloride dihydrate
- 149261-30-3
- Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methyl-, chloride, hydrochloride, hydrate (1:1:1:2)
- BMY 28142 dihydrochloride dihydrate
-
- Inchi： 1S/C19H24N6O5S2.2ClH.2H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;2*1H2/b23-12-;;;;/t13-,17-;;;;/m1..../s1
- InChI Key： ZENBJBDRSHGKHS-OCXXVVDXSA-N
- SMILES： Cl.[Cl-].S1CC(=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=N\OC)=O)=O)C[N+]1(C)CCCC1.O.O
Computed Properties
- Exact Mass: 560.88839
- Monoisotopic Mass: 588.0994451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 36
- Rotatable Bond Count: 7
- Complexity: 874
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 203?2
Experimental Properties
- PSA: 205.23
Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1:1:2) Related Literature
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