Products for Research Use Only
RegisterLogin

Nalfurafine Impurity 19

CAT: 1299-RM-N012119-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-N012119-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
152657-00-6
Synonyms
(4R,4aS,7S,7aR,12bS) -7- (benzyl (methyl) amino) -3- (cyclopropylmethyl) -1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Formula
C28H34N2O3
Molecular Weight
446.59
Target Alternative Name
Nalfurafine
Product Name Synonym
(4R,4aS,7S,7aR,12bS) -7- (benzyl (methyl) amino) -3- (cyclopropylmethyl) -1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Chemical Information

Nalfurafine Impurity 19
CAS Number152657-00-6
PubChem CID53954626
IUPAC Name(4R,4aS,7S,7aR,12bS)-7-[benzyl(methyl)amino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular FormulaC28H34N2O3
Molecular Weight446.6
XLogP1.8
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity753
SMILES
CN(CC1=CC=CC=C1)[C@H]2CC[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O
InChI
InChI=1S/C28H34N2O3/c1-29(16-18-5-3-2-4-6-18)21-11-12-28(32)23-15-20-9-10-22(31)25-24(20)27(28,26(21)33-25)13-14-30(23)17-19-7-8-19/h2-6,9-10,19,21,23,26,31-32H,7-8,11-17H2,1H3/t21-,23+,26-,27-,28+/m0/s1
InChIKey
JGUITRIYFIOWDN-VFPMOJSXSA-N
Chemical Structure
2D Structure
2D structure of Nalfurafine Impurity 19
CAS: 152657-00-6
CID: 53954626
Formula: C28H34N2O3
MW: 446.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.6
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass446.25694295
Monoisotopic Mass446.25694295
Topological Polar Surface Area56.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-N012117-01Nalfurafine Impurity 17
RM-N012121-01Nalfurafine Impurity 21
RM-N012122-01Nalfurafine Impurity 22
RM-N012125-01Nalfurafine Impurity 25
RM-N012126-01Nalfurafine Impurity 26
RM-N012109-01Nalfurafine Impurity 9
RM-N012137-01Nalfurafine Impurity 37
RM-N012135-01Nalfurafine Impurity 35
RM-N012140-01Nalfurafine Impurity 40
RM-N012128-01Nalfurafine Impurity 28

Alternative Products

CatalogName
AR-N08257-01Nalfurafine Impurity 7
MBS3602134-01Nalfurafine
T2388-01Nalfurafine hydrochloride
TRC-N255615-10MG6S-Nalfurafine
TRC-D291905-5MGDescyclopropylmethyl Nalfurafine
HY-12745ANalfurafine (hydrochloride)
TRC-N255610-5MG2Z-Nalfurafine
MBS577120Nalfurafine HCl
H94939510α-Hydroxy-nalfurafine
TRC-D291907-25MGDescyclopropylmethyl Nalfurafine-d3

Popular Products