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924302-43-2
DANOPREVIR
Directory
1. Identification
2. Chemical and Physical Properties
3. Material Safety Data Sheet(MSDS)
4. CML File
5. TOP Suppliers
6. Related products
Name
DANOPREVIR
Formula
C35 H46 F N5 O9 S
MolWeight
731.838
CCD No.
CCD02499546
CAS
924302-43-2
MDL
MFCD16038038
1
Identification
【Name】
DANOPREVIR
【CAS】
850876-88-9
;
790305-05-4
;916826-48-7 ;
924302-43-2
【MDL】
MFCD16038038
【English Synonyms】
DANOPREVIR (ITMN-191)
DANOPREVIR
ITMN-191
4-FLUORO-1,3-DIHYDRO-2H-ISOINDOLE-2-CARBOXYLIC ACID (2R,6S,13AS,14AR,16AS)-14A-[[(CYCLOPROPYLSULFONYL)AMINO]CARBONYL]-6-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-HEXADECAHYDRO-5,16-DIOXOCYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECIN-2-YL ESTER
2H-ISOINDOLE-2-CARBOXYLIC ACID, 4-FLUORO-1,3-DIHYDRO-, (2R,6S,13AS,14AR,16AS)-14A-[[(CYCLOPROPYLSULFONYL)AMINO]CARBONYL]-6-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-HEXADECAHYDRO-5,16-DIOXOCYCLOPROPA[E]PYRROLO[1,2-A]
EBP 521
(2R,6S,13AS,14AR,16AS,Z)-6-(TERT-BUTOXYCARBONYLAMINO)-14A-(CYCLOPROPYLSULFONYLCARBAMOYL)-5,16-DIOXO-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-HEXADECAHYDROCYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECIN-2-YL 4-FLUOROISOINDOLINE-2-CARBOXYLATE
【Formula】
C35 H46 F N5 O9 S
【MolWeight】
731.838
【Inchi】
InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1
【InChIKey】
InChIKey=ZVTDLPBHTSMEJZ-JSZLBQEHSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4Cc5cccc(c5C4)F)C(=O)NS(=O)(=O)C6CC6
【MOL File】
DANOPREVIR.mol
2
Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:14
XLogP3:3.0
Bulk/Fine:FB
3
Material Safety Data Sheet(MSDS)
4
CML File
DANOPREVIR.cml
Quick Release
TOP Suppliers
Heat-biochem co., Ltd
Catalog No:
HB-4992
25G
Catalog No:
HB-4992
100G
Catalog No:
HB-4992
500G
Catalog No:
HB-4992
1kg
Country/Region:China
Business Type:Lab/Research institutions
http://www.heat-biochem.com
DC Chemicals
Catalog No:
DC8238
100mg
Catalog No:
DC8238
250mg
Catalog No:
DC8238
1g
Country/Region:China
Business Type:Trading Company
http://www.dcchemicals.com
ShangHai ChangYan Chem & Tech CO.,LTD
Catalog No:
CY08206
10
Catalog No:
CY08206
up to kgs
Country/Region:China
Business Type:Lab/Research institutions
http://www.changyanchem.com
Boc Sciences
Catalog No:
924302-43-2
up to kgs
Country/Region:United States
Business Type:Trading Company
https://www.bocsci.com/
ChemScene,LLC
Catalog No:
CS-0337
5mg
Catalog No:
CS-0337
10mg
Catalog No:
CS-M1887
500mg
Country/Region:United States
Business Type:Trading Company
http://www.chemscene.com
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