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Bicillin-3
[CAS# 8067-92-3]

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CAS#: 8067-92-3
Product: Bicillin-3
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Identification
Name Bicillin-3
Synonyms Potassium; 4-Aminobenzoic Acid 2-Diethylaminoethyl Ester; N,N'-Dibenzylethane-1,2-Diamine; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; Potassium
Molecular Structure CAS#: 8067-92-3, Bicillin-3
Molecular Formula C93H111KN12O18S4
Molecular Weight 1852.31
CAS Registry Number 8067-92-3
SMILES S1[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)[C@H]2NC(=O)CC3=CC=CC=C3.N46[C@H](SC([C@@H]4C(=O)O)(C)C)[C@H](NC(=O)CC5=CC=CC=C5)C6=O.NC7=CC=C(C(OCCN(CC)CC)=O)C=C7.N(CC8=CC=CC=C8)CCNCC9=CC=CC=C9.[C@H]%10%11SC([C@@H](N%10C(=O)[C@H]%11NC(=O)CC%12=CC=CC=C%12)C([O-])=O)(C)C.[C@H]%13%14SC([C@@H](N%13C(=O)[C@H]%14NC(=O)CC%15=CC=CC=C%15)C(=O)O)(C)C.[K+]
InChI 1S/4C16H18N2O4S.C16H20N2.C13H20N2O2.K/c4*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h4*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;5-8H,3-4,9-10,14H2,1-2H3;/q;;;;;;+1/p-1/t4*11-,12+,14-;;;/m1111.../s1
InChIKey UWGHBOXQOJIGDX-QESCWDNQSA-M
Properties
Boiling point 663.3°C at 760 mmHg (Cal.)
Flash point 355°C (Cal.)
Market Analysis Reports
List of Reports Available for Bicillin-3
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