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Benzylhydrochlorothiazide

CAT: 0572-TRC-B279020-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B279020-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1824-50-6
Synonyms
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(phenylmethyl)-, 1,1-dioxide; 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-benzyl-6-chloro-3,4-dihydro-, 1,1-dioxide (6CI,7CI,8CI); (±)-Benzylhydrochlorothiazide; Behyd; Benclortriazide; Benzclortriazide; Benzylhydrochlorothiazide; NSC 263220; Su 6227
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1Cl
Molecular Formula
C14 H14 Cl N3 O4 S2
Molecular Weight
387.86
InChI
InChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)
Additionnal Information
IUPAC name: 3-benzyl-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ^{6},2,4-benzothiadiazine-7-sulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzylhydrochlorothiazide

Benzylhydrochlorothiazide is a member of benzenes, a sulfonamide, an organochlorine compound, a benzothiadiazine and a secondary amino compound.

CAS Number1824-50-6
PubChem CID2348
IUPAC Name3-benzyl-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC14H14ClN3O4S2
Molecular Weight387.9
XLogP0.9
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity652
SMILES
C1=CC=C(C=C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)
InChIKey
BWSSMIJUDVUASQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzylhydrochlorothiazide
CAS: 1824-50-6
CID: 2348
Formula: C14H14ClN3O4S2
MW: 387.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.9
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass387.0114260
Monoisotopic Mass387.0114260
Topological Polar Surface Area135 Ų
Heavy Atom Count24
Formal Charge0
Complexity652
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

Alternative Products

CatalogName
HY-W587755Benzylhydrochlorothiazide
HY-132674S-01Benzylhydrochlorothiazide-d5

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