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Home Amines 101342-45-4
101342-45-4,MFCD09842537
Catalog No.:AA00047D
101342-45-4 | 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4R,4aS,5aS,6S,12aS)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
80%
in stock  
$234.00   $164.00
- +
5mg
80%
in stock  
$719.00   $503.00
- +
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Technical Information
Catalog Number:
AA00047D
Chemical Name:
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4R,4aS,5aS,6S,12aS)-
CAS Number:
101342-45-4
Molecular Formula:
C22H24Cl2N2O8
Molecular Weight:
515.3406
MDL Number:
MFCD09842537
IUPAC Name:
(4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI:
InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1
InChI Key:
QYAPHLRPFNSDNH-QNUQNERCSA-N
SMILES:
CN([C@H]1C(=O)/C(=C(/O)\N)/C(=O)C2(C1CC1C(=C(O)c3c([C@@]1(C)O)c(Cl)ccc3O)C2=O)O)C.Cl
Properties
Computed Properties
 
Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
514.091g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
515.34g/mol
Monoisotopic Mass:
514.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
4-epi-Chlortetracycline Hydrochloride 
101342-45-4 
ST50307319 
(2Z,4R,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride 
(6S,12aS,4aS,5aS,4R)-4-(dimethylamino)-7-chloro-3,6,10,12,12a-pentahydroxy-6-m ethyl-1,11-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide, chloride 
Aureociclina 
CID6364650 
CS-O-31080 
4-Epichlortetracycline Hydrochloride 
C22H23ClN2O8.HCl 
AC1O4BYZ 
4-Epichlortetracycline HCl 
CHEMBL1950580 
4-epichlortetracycline hydro-chloride 
8022AH 
AKOS024306930 
Literature
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