1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-

Base Information

• Chemical Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-
• CAS No.: 186319-97-1
• Molecular Formula: C19H29 N3 O5 S . Cl H
• Molecular Weight: 447.98505
• UNII: OB4VR2PM24
• DSSTox Substance ID: DTXSID70171877
• Wikidata: Q27285547
• Mol file: 186319-97-1.mol

Synonyms:1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-;6-(1-hydroxyethyl)-1-methyl-2-((pyrrolidin-3-yl-hydroxymethyl)pyrrolidin-4-ylthio)-1-carbapen-2-em-3-carboxylic acid hydrochloride;ER 35786;ER-35786

Chemical Property of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-

Chemical Property:

• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 447.1594699
• Heavy Atom Count: 29
• Complexity: 701

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(C4CCNC4)O)C(=O)O)C(C)O.Cl
• Isomeric SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@@H]([C@@H]4CCNC4)O)C(=O)O)[C@@H](C)O.Cl