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Doxylamine-d5 Succinate

CAT: 0024-sc-218275Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-218275Size:1 mg
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CAS Number
1216840-94-6

Chemical Information

Doxylamine-d5 Succinate
CAS Number1216840-94-6
PubChem CID46781432
IUPAC Namebutanedioic acid;N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine
Molecular FormulaC21H28N2O5
Molecular Weight393.5
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity369
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C)(C2=CC=CC=N2)OCCN(C)C)[2H])[2H].C(CC(=O)O)C(=O)O
InChI
InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/i4D,5D,6D,9D,10D;
InChIKey
KBAUFVUYFNWQFM-NBTFKYQWSA-N
Chemical Structure
2D Structure
2D structure of Doxylamine-d5 Succinate
CAS: 1216840-94-6
CID: 46781432
Formula: C21H28N2O5
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass393.23120573
Monoisotopic Mass393.23120573
Topological Polar Surface Area100 Ų
Heavy Atom Count28
Formal Charge0
Complexity369
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-O-03085Doxylamine-d5 Succinate
HY-A0069S-01Doxylamine-d5 (succinate)
T11091-01Doxylamine D5 succinate
MBS576948Doxylamine succinate
HY-A0069-01Doxylamine (succinate)

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