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Desipramine-d4 HCl

CAT: 1596-AR-D01410-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01410-01Size:10 Units
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CAS Number
61361-34-0
Synonyms
N-methyl-3- (1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl) propan-1-amine; hydrochloride;10,11-Dihydro-N-methyl-5H-dibenz[b, f]azepine-5-propanamine-d4; G-35020-d4; JB-8181-d4; NSc-114901-d4; Norpramin-d4; Nortimil-d4; Pertofran-d4; Pertofrane-d4; Petylyl-d4; Desipramine-2,4,6,8-d4 Hydrochloride
Molecular Formula
C18H18N2D4.HCl
Molecular Weight
270.41 36.46
API Name
Desipramine

Chemical Information

Desipramine-2,4,6,8-d4 Hydrochloride
CAS Number61361-34-0
PubChem CID45038863
IUPAC NameN-methyl-3-(1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride
Molecular FormulaC18H23ClN2
Molecular Weight306.9
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity267
SMILES
[2H]C1=CC(=C2C(=C1)CCC3=CC(=CC(=C3N2CCCNC)[2H])[2H])[2H].Cl
InChI
InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H/i2D,3D,9D,10D;
InChIKey
XAEWZDYWZHIUCT-TUJKZWLVSA-N
Chemical Structure
2D Structure
2D structure of Desipramine-2,4,6,8-d4 Hydrochloride
CAS: 61361-34-0
CID: 45038863
Formula: C18H23ClN2
MW: 306.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass306.1800834
Monoisotopic Mass306.1800834
Topological Polar Surface Area15.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity267
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-B1272AS-01Desipramine-d4
ESS0184-01Desipramine-2,4,6,8-D4 Hydrochloride
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80-1315Desipramine-HRP
B2987-10Desipramine hydrochloride
226913Desipramine (HRP)
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