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Home Amines 1018340-07-2
1018340-07-2,MFCD18428034
Catalog No.:AA0005LU
1018340-07-2 | 2H-Naphtho[2,3-b]pyran-5,10-dione, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-[(phenylmethyl)amino]-, (3R,4R)-rel-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥97%
in stock  
$101.00   $71.00
- +
5mg
≥97%
in stock  
$250.00   $175.00
- +
10mg
≥97%
in stock  
$398.00   $279.00
- +
25mg
≥97%
in stock  
$804.00   $563.00
- +
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Technical Information
Catalog Number:
AA0005LU
Chemical Name:
2H-Naphtho[2,3-b]pyran-5,10-dione, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-[(phenylmethyl)amino]-, (3R,4R)-rel-
CAS Number:
1018340-07-2
Molecular Formula:
C22H21NO4
Molecular Weight:
363.4064
MDL Number:
MFCD18428034
IUPAC Name:
(3S,4S)-4-(benzylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
InChI:
InChI=1S/C22H21NO4/c1-22(2)21(26)17(23-12-13-8-4-3-5-9-13)16-18(24)14-10-6-7-11-15(14)19(25)20(16)27-22/h3-11,17,21,23,26H,12H2,1-2H3/t17-,21-/m0/s1
InChI Key:
WKHJQIQDQXGUOD-UWJYYQICSA-N
SMILES:
O=C1c2ccccc2C(=O)C2=C1[[email protected]@H](NCc1ccccc1)[[email protected]](C(O2)(C)C)O
Properties
Computed Properties
 
Complexity:
647  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
363.147058g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
363.4g/mol
Monoisotopic Mass:
363.147058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6Ų
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
CAY10581 
1018340-07-2 
RT-017299 
(3S,4S)-4-(benzylamino)-3-hydroxy-2,2-dimethyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-5,10-dione 
PBCMY10581 
WKHJQIQDQXGUOD-UWJYYQICSA-N 
CAY-10581 
MLS006010839 
SCHEMBL3617130 
BDBM24797 
CTK8F0290 
Pyranonaphthoquinone derivative, 36 
ZINC29134842 
SMR004701766 
Literature
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