58844-13-6
DIPHENYLMETHYL7-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENEAMINO)-3-[[(1-METHYL-1H-TETRAZOL-5-YL)THIO]METHYL]-3-CEPHEM-4-CARBOXYLATE
Name
DIPHENYLMETHYL7-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENEAMINO)-3-[[(1-METHYL-1H-TETRAZOL-5-YL)THIO]METHYL]-3-CEPHEM-4-CARBOXYLATE
pro_formula
C38 H42 N6 O4 S2
pro_molWeight
710.92
1Identification
【Name】
DIPHENYLMETHYL7-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENEAMINO)-3-[[(1-METHYL-1H-TETRAZOL-5-YL)THIO]METHYL]-3-CEPHEM-4-CARBOXYLATE
【CAS】
【MDL】
MFCD09038735
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C38 H42 N6 O4 S2
【pro_molWeight】
710.92
【Inchi】
InChI=1S/C38H42N6O4S2/c1-37(2,3)27-18-23(19-28(31(27)45)38(4,5)6)20-39-29-33(46)44-30(26(21-49-34(29)44)22-50-36-40-41-42-43(36)7)35(47)48-32(24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-20,29,32,34,45H,21-22H2,1-7H3/b39-20+/t29?,34-/m1/s1
【InChIKey】
InChIKey=GBMJGDROKPJJCD-SEYCAXNLSA-N
【SMILES】
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)/C=N/C2[C@@H]3N(C2=O)C(=C(CS3)CSc4nnnn4C)C(=O)OC(c5ccccc5)c6ccccc6
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:10
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
DIPHENYLMETHYL7-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENEAMINO)-3-[[(1-METHYL-1H-TETRAZOL-5-YL)THIO]METHYL]-3-CEPHEM-4-CARBOXYLATE.cml
quick_release
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ACONPHARM CORPORATION
pro_catalogNo:413067 nullnull
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http://www.aconpharm.org
Allichem LLC
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pro_catalogNo:75351 5G
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http://www.allichemllc.com
Alfa Chemistry
pro_catalogNo:ATM58844136 up to kgs
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