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11-Hydroxy dihydro loratadine

CAT: 0926-FH23983Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FH23983Size:50 mg
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CAS Number
133284-74-9
Synonyms
4- (8-Chloro-6,11-dihydro-11-hydroxy-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl) -1-piperidinecarboxylic acid ethyl ester
MDL Number
MFCD21363666
Smiles
CCOC (=O) N1CCC (CC1) C2 (C3=C (CCC4=C2N=CC=C4) C=C (C=C3) Cl) O
Molecular Formula
C22H25ClN2O3
Molecular Weight
400.9 g/mol
Controlled
No

Chemical Information

Ethyl 4-(8-chloro-6,11-dihydro-11-hydroxy-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinecarboxylate
CAS Number133284-74-9
PubChem CID69455764
IUPAC Nameethyl 4-(13-chloro-2-hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate
Molecular FormulaC22H25ClN2O3
Molecular Weight400.9
XLogP3.5
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity554
SMILES
CCOC(=O)N1CCC(CC1)C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)O
InChI
InChI=1S/C22H25ClN2O3/c1-2-28-21(26)25-12-9-17(10-13-25)22(27)19-8-7-18(23)14-16(19)6-5-15-4-3-11-24-20(15)22/h3-4,7-8,11,14,17,27H,2,5-6,9-10,12-13H2,1H3
InChIKey
WVWGYTXDYNKXEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-(8-chloro-6,11-dihydro-11-hydroxy-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinecarboxylate
CAS: 133284-74-9
CID: 69455764
Formula: C22H25ClN2O3
MW: 400.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass400.1553704
Monoisotopic Mass400.1553704
Topological Polar Surface Area62.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-H941370-50MG11-Hydroxy Dihydro Loratadine
TRC-H941375-2.5MG11-Hydroxy-N-methyl Dihydro Loratadine
0091744,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (Loratadine Impurity)
MBS6081803-01Loratadine-d4 (4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid-d5, Ethyl Ester)
L3425-01Loratadine-d4 (4- (8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene) -1-piperidinecarboxylic Acid-d5, Ethyl Ester)
L3425Loratadine (Claritin, Sch-29851, 4- (8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene) -1-piperidinecarboxylic Acid, Ethyl Ester)
MBS6044901-01Loratadine (Claritin, Sch-29851, 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid, Ethyl Ester)
TRC-H947746-100MG11-(N-Hydroxy) Loratadine 1-Oxide
AR-L01901-0111-Hydroxy Dihydro Desloratadine
0139423-Hydroxy Loratadine

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