Clindamycin-d3 hydrochloride

CAT: 0926-AC183786-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-AC183786-01Size:1 mg

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CAS Number

1356933-72-6

Smiles

[C@@H] (NC (=O) [C@@H]1C[C@@H] (CCC) CN1C ([2H]) ([2H]) [2H]) ([C@H] (C) Cl) [C@]2 (O[C@H] (SC) [C@H] (O) [C@@H] (O) [C@H]2O) [H].Cl

Molecular Formula

C18H30ClD3N2O5S•HCl

Molecular Weight

464.46 g/mol

Controlled

Chemical Information

Clindamycin-d3 Hydrochloride

CAS Number	1356933-72-6
PubChem CID	46781042
IUPAC Name	(2S)-N-[2-chloro-1-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-propyl-1-(trideuteriomethyl)pyrrolidine-2-carboxamide;hydrochloride
Molecular Formula	C18H34Cl2N2O5S
Molecular Weight	464.5
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	502

SMILES

[2H]C([2H])([2H])N1CC(C[C@H]1C(=O)NC(C2[C@@H]([C@H]([C@@H]([C@H](O2)SC)O)O)O)C(C)Cl)CCC.Cl

InChI

InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10?,11-,12?,13+,14+,15-,16?,18+;/m0./s1/i3D3;

InChIKey

AUODDLQVRAJAJM-QCGDUVFOSA-N

Chemical Structure

2D Structure

CAS: 1356933-72-6

CID: 46781042

Formula: C18H34Cl2N2O5S

MW: 464.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	464.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	463.1753790
Monoisotopic Mass	463.1753790
Topological Polar Surface Area	128 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	502
Isotope Atom Count	3
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS6078931-01	Clindamycin-d3 Hydrochloride
HY-B1455S	Clindamycin-d3 (hydrochloride)
TRC-C579994-0.5MG	Clindamycin-13C,D3 Hydrochloride
CS-O-03671	Clindamycin-13C, d3 Hydrochloride
HY-W749665-01	Clindamycin Hydrochloride-13C, d3
C035-100MG	Clindamycin Hydrochloride
HY-B0408A-01	Clindamycin (hydrochloride)
TRC-C580042-50MG	Clindamycin B-d3
RM-C120525-01	Clindamycin-13C-D3
TRC-C579992-5MG	Clindamycin-13C,D3

Clindamycin-d3 hydrochloride

Chemical Information

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