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AgoMelatine (L(+)-Tartaric acid)

CAS No.:
824393-18-2
Catalog Number:
AG00G3NB
Molecular Formula:
C19H23NO8
Molecular Weight:
393.3878
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Product Description
Catalog Number:
AG00G3NB
Chemical Name:
AgoMelatine (L(+)-Tartaric acid)
CAS Number:
824393-18-2
Molecular Formula:
C19H23NO8
Molecular Weight:
393.3878
MDL Number:
MFCD28167717
IUPAC Name:
(2R,3R)-2,3-dihydroxybutanedioic acid;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
InChI:
InChI=1S/C15H17NO2.C4H6O6/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;5-1(3(7)8)2(6)4(9)10/h3-7,10H,8-9H2,1-2H3,(H,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChI Key:
PJOPJXPTFZIKTL-LREBCSMRSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)O)O.COc1ccc2c(c1)c(CCNC(=O)C)ccc2
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
393.142g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
393.392g/mol
Monoisotopic Mass:
393.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties