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100935-99-7,MFCD10565901
Catalog No.:AA00036B
100935-99-7 | 2H-Naphth[1,2-b]-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-propyl-, hydrochloride, trans- (9CI)
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2.5mg
1 week  
$1,679.00   $1,175.00
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12.5mg
1 week  
$4,000.00   $2,800.00
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Technical Information
Catalog Number:
AA00036B
Chemical Name:
2H-Naphth[1,2-b]-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-propyl-, hydrochloride, trans- (9CI)
CAS Number:
100935-99-7
Molecular Formula:
C15H22ClNO2
Molecular Weight:
283.7937
MDL Number:
MFCD10565901
IUPAC Name:
(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol;hydrochloride
InChI:
InChI=1S/C15H21NO2.ClH/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16;/h3,5,10,14-15,17H,2,4,6-9H2,1H3;1H/t14-,15-;/m1./s1
InChI Key:
NNEACMQMRLNNIL-CTHHTMFSSA-N
SMILES:
CCCN1CCO[C@H]2[C@H]1CCc1c2cc(cc1)O.Cl
UNII:
E5KFJ9796W
Properties
Computed Properties
 
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.134g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.796g/mol
Monoisotopic Mass:
283.134g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
MK 458 
MK-458 
MK 458 
E5KFJ9796W 
Naxagolide hydrochloride [USAN] 
L-647339 
Naxagolide hydrochloride (USAN) 
(4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol hydrochloride 
Nazagolide HCl 
Dopazinol Hydrochloride 
entNaxagolideHydrochloride 
AC1L1N6X 
NAXAGOLIDE HYDROCHLORIDE 
(+/-)-PHNO hydrochloride 
MLS006010256 
SCHEMBL122853 
L 647,339 
PHNO-(+) 
CHEMBL2106804 
CTK8E7920 
DTXSID60244221 
BCP25707 
AKOS030254483 
ent Naxagolide Hydrochloride 
(+)-(4aR,10bR)-3,4,4a,5,6,10b-Hexahydro-4-propyl-2H-naphth(1,2-b)-1,4-oxazin-9-ol hydrochloride 
4CA-0896 
SMR004701331 
RT-012468 
D05124 
(+)-Propyl-9-hydroxynaphthoxazine Hydrochloride 
J-000279 
L 647339 
L-647,339 
N-0500-(+) 
99705-65-4 
(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol hydrochloride 
(4aR-trans)-3,4,4a,5,6,10b-Hexahydro-4-propyl-2H-naphth[1,2-b]-1,4-oxazin-9-ol Hydrochloride 
2H-Naphth(1,2-b)-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-propyl-, hydrochloride, (4aR-trans)- 
2H-Naphth[1,2-b]-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-propyl-, hydrochloride, trans- (9CI) 
88058-85-9 
trans-(+/-)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol hydrochloride 
dopazinol 
NAXAGOLIDE 
cc-181 
C15-H21-N-O2.Cl-H 
Naxagolide HCl 
MK458 
CID57532 
LY404039 
635318-55-7 
88058-88-2 
100935-99-7 
UNII-E5KFJ9796W 
MK-458 
(+)-PHNO Hydrochloride 
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