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Zimeldine-d6

CAT: 0572-TRC-Z435002-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z435002-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185239-75-1
Synonyms
(Z)-3-(4-Bromophenyl)-(N,N-dimethyl-d6)-3-(3-pyridinyl)-2-propen-1-amine; Zimelidine-d6;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N(C\C=C(\c1ccc(Br)cc1)/c2cccnc2)C([2H])([2H])[2H]
Molecular Formula
C16H11D6BrN2
Molecular Weight
323.26
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Zimeldine-d6
CAS Number1185239-75-1
PubChem CID45040699
IUPAC Name(Z)-3-(4-bromophenyl)-3-pyridin-3-yl-N,N-bis(trideuteriomethyl)prop-2-en-1-amine
Molecular FormulaC16H17BrN2
Molecular Weight323.26
XLogP3.9
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity293
SMILES
[2H]C([2H])([2H])N(C/C=C(/C1=CC=C(C=C1)Br)\C2=CN=CC=C2)C([2H])([2H])[2H]
InChI
InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-/i1D3,2D3
InChIKey
OYPPVKRFBIWMSX-OKYKLUAZSA-N
Chemical Structure
2D Structure
2D structure of Zimeldine-d6
CAS: 1185239-75-1
CID: 45040699
Formula: C16H17BrN2
MW: 323.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.26
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass322.09517
Monoisotopic Mass322.09517
Topological Polar Surface Area16.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity293
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-118835S-01Zimeldine-d6
FZ28762-01Zimeldine
T69002-01Zimeldine hydrochloride hydrate
292107-01Zimeldine discontinued. See Z0445
MBS6040695-01Zimeldine-d6 ((Z)-3-(4-Bromophenyl)-(N,N-dimethyl-d6)-3-(3-pyridinyl)-2-propen-1-amine, Zimelidine-d6)
Z0445-01Zimeldine-d6 ((Z) -3- (4-Bromophenyl) - (N, N-dimethyl-d6) -3- (3-pyridinyl) -2-propen-1-amine, Zimelidine-d6)
CS-O-59102Fruquintinib-d6 (Dimethoxy-d6)
UYB80274-01Bezafibrate-d6 (dimethyl-d6)
TMIJ-0459-01Methamidophos-d6 (dimethyl-d6)
RM-P052032-01Pentoxifylline-D6 (Dimethyl-D6)

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