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2-Hydroxymethyl Loratadine

CAT: 0572-TRC-H947745-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H947745-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
609806-39-5
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc(CO)nc24)CC1
Molecular Formula
C23 H25 Cl N2 O3
Molecular Weight
412.91
InChI
InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-9-15(10-12-26)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-27)25-22(16)21/h5-8,13,27H,2-4,9-12,14H2,1H3
Additionnal Information
IUPAC name: ethyl 4-[8-chloro-2-(hydroxymethyl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-c]pyridin-11-ylidene]piperidine-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Hydroxymethyl Loratadine

2-Hydroxymethyl Loratadine is a benzocycloheptapyridine.

CAS Number609806-39-5
PubChem CID29981724
IUPAC Nameethyl 4-[13-chloro-5-(hydroxymethyl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]piperidine-1-carboxylate
Molecular FormulaC23H25ClN2O3
Molecular Weight412.9
XLogP4.3
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity615
SMILES
CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=C(C=C4)CO)C=C(C=C3)Cl)CC1
InChI
InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-9-15(10-12-26)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-27)25-22(16)21/h5-8,13,27H,2-4,9-12,14H2,1H3
InChIKey
XTEULJRKHVVHLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxymethyl Loratadine
CAS: 609806-39-5
CID: 29981724
Formula: C23H25ClN2O3
MW: 412.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.9
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass412.1553704
Monoisotopic Mass412.1553704
Topological Polar Surface Area62.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-H949915-1MG4-Hydroxymethyl Loratadine Hydrochloride
TRC-H949915-25MG4-Hydroxymethyl Loratadine Hydrochloride
TRC-H949915-10MG4-Hydroxymethyl Loratadine Hydrochloride
TRC-C375470-5MG2-Chloro Loratadine
TRC-C375470-2.5MG2-Chloro Loratadine
TRC-C981800-1MG2-Cyano Loratadine
TRC-M261610-10MG2-Methoxycarbonyl Loratadine
TRC-F700680-50MG2-Formyl Loratadine
TRC-C375470-1MG2-Chloro Loratadine
TRC-M261610-1MG2-Methoxycarbonyl Loratadine

Alternative Products

CatalogName
CS-O-078912-Hydroxymethyl Loratadine
CS-O-061234-Hydroxymethyl Loratadine
RM-L182019-01Loratadine 2-Hydroxymethyl Impurity (Usp)
CS-T-936274-Hydroxymethyl Loratadine Hydrochloride
RM-L182020-01Loratadine 4-Hydroxymethyl Impurity (Usp)
sc-2138112-Formyl Loratadine
268730-012-Cyano loratadine
sc-2092172-Methoxycarbonyl Loratadine
AR-L01895-01Loratadine Impurity 2
416499-012-Chloro Loratadine

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