Hydrochlorothiazide-d2

CAT: 0926-FH183134-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FH183134-02Size:2 mg

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CAS Number

1219798-89-6

MDL Number

MFCD08063606

Smiles

O=S1 (=O) C=2C (=CC (Cl) =C (S (N) (=O) =O) C2) NC (N1) ([2H]) [2H]

Molecular Formula

C7H6ClD2N3O4S2

Molecular Weight

299.75 g/mol

Controlled

Chemical Information

Hydrochlorothiazide-d2

CAS Number	1219798-89-6
PubChem CID	76973170
IUPAC Name	6-chloro-3,3-dideuterio-1,1-dioxo-2,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular Formula	C7H8ClN3O4S2
Molecular Weight	299.8
XLogP	-0.1
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	494

SMILES

[2H]C1(NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H]

InChI

InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)/i3D2

InChIKey

JZUFKLXOESDKRF-SMZGMGDZSA-N

Chemical Structure

2D Structure

CAS: 1219798-89-6

CID: 76973170

Formula: C7H8ClN3O4S2

MW: 299.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.8
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	298.9770293
Monoisotopic Mass	298.9770293
Topological Polar Surface Area	135 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	494
Isotope Atom Count	2
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
QXB00603-01	Hydrochlorothiazide-13C, d2
FH23880-01	Hydrochlorothiazide
FN183477-01	N-Nitroso hydrochlorothiazide
IA17850-01	Hydrochlorothiazide impurity C
BH164522	Hydrochlorothiazide - Bio-X TM
RCA66392-01	Polygalacin d2
FP27159	Previtamin D2
NEA58077-01	Gossypol-d2
ZAA62432	Xanthene-d2
YLB93205-01	Sesamol-d2

Catalog	Name
TRC-H714561-1MG	Hydrochlorothiazide-d2
AR-H01174-01	Hydrochlorothiazide-13C-d2
CS-O-06661	Hydrochlorothiazide-13C, d2
TRC-H714562-10MG	Hydrochlorothiazide-13C,d2
CS-O-06663	Hydrochlorothiazide-15N2,13C, d2
TRC-H714563-10MG	Hydrochlorothiazide-13C,15N2,d2
CS-EO-02660	N-Nitroso Hydrochlorothiazide D2
AR-H01170-01	Hydrochlorothiazide-15N2-13C-d2
sc-491307	Hydrochlorothiazide-13C,15N2, d2
CS-O-49257	4-Nitroso Hydrochlorothiazide-13C-d2