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Chlortetracycline hydrochloride

CAT: 0862-GA8098-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0862-GA8098-100gSize:100 g
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CAS Number
64-72-2
EC Number
200-591-7
Purity
89.50%
Molecular Formula
C22H23ClN2O8 · HCl
Molecular Weight
515.34
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Chlortetracycline hydrochloride

See also: Chlortetracycline (annotation moved to); Chlortetracycline Hydrochloride (annotation moved to).

CAS Number64-72-2
PubChem CID54682468
IUPAC Name(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
Molecular FormulaC22H24Cl2N2O8
Molecular Weight515.3
Topological Polar Surface Area182
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity1010
SMILES
C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl
InChI
InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1
InChIKey
QYAPHLRPFNSDNH-MRFRVZCGSA-N
Chemical Structure
2D Structure
2D structure of Chlortetracycline hydrochloride
CAS: 64-72-2
CID: 54682468
Formula: C22H24Cl2N2O8
MW: 515.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass514.0909711
Monoisotopic Mass514.0909711
Topological Polar Surface Area182 Ų
Heavy Atom Count34
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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