CSIR CIMAP AROMA | Compound Details

Hydrochlorothiazide Details

: IUPAC Name

6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

:Chemical Class

:CAS Registry Number

58-93-5

:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID	3639
Molecular Weight (mg/mol)	297.739
Molecular Formula	C7H8ClN3O4S2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
IUPAC Name	6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
Canonical SMILES	NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
PUBCHEM IUPAC INCHIKEY	JZUFKLXOESDKRF-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-10.144

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	135
BBB Level	4
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	-0.28
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Single-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	4.4215 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction	Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	None
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Cas No	Gene Symbol	Organism	Interaction	Interaction Actions	PubMed Id
1	58-93-5	ACE	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of ACE mRNA]	decreases^reaction\|increases^expression	16326922
2	58-93-5	ACE	Rattus norvegicus	Hydrochlorothiazide results in increased expression of ACE mRNA	increases^expression	18796534
3	58-93-5	ACTA1	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of ACTA1 mRNA]	decreases^reaction\|increases^expression	16326922
4	58-93-5	ADIPOQ	Mus musculus	Hydrochlorothiazide results in decreased expression of ADIPOQ mRNA	decreases^expression	19730415
5	58-93-5	AGTR1A	Rattus norvegicus	Hydrochlorothiazide results in decreased expression of AGTR1A mRNA	decreases^expression	18796534
6	58-93-5	ALB	Bos taurus	Hydrochlorothiazide binds to ALB protein	affects^binding	18059056
7	58-93-5	AQP2	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Lithium results in decreased expression of AQP2 protein]	decreases^expression\|decreases^reaction	15504936
8	58-93-5	AQP2	Rattus norvegicus	Hydrochlorothiazide results in decreased expression of AQP2 mRNA	decreases^expression	17584643
9	58-93-5	AQP2	Rattus norvegicus	Hydrochlorothiazide results in decreased expression of AQP2 protein	decreases^expression	17584643
10	58-93-5	ATP6V1B1	Rattus norvegicus	Hydrochlorothiazide results in increased expression of ATP6V1B1 protein	increases^expression	17311909
11	58-93-5	AVPR2	Rattus norvegicus	Hydrochlorothiazide results in decreased expression of AVPR2 mRNA	decreases^expression	17584643
12	58-93-5	BDKRB1	Rattus norvegicus	Hydrochlorothiazide results in decreased expression of BDKRB1 mRNA	decreases^expression	18796534
13	58-93-5	CAT	Rattus norvegicus	[Hydrochlorothiazide co-treated with Fructose] results in decreased activity of CAT protein	affects^cotreatment\|decreases^activity	23707192
14	58-93-5	CAT	Rattus norvegicus	Hydrochlorothiazide results in decreased activity of CAT protein	decreases^activity	23707192
15	58-93-5	CCL2	Rattus norvegicus	Hydrochlorothiazide results in decreased expression of CCL2 mRNA	decreases^expression	19627010
16	58-93-5	CDKN1B	Rattus norvegicus	[troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of CDKN1B protein	affects^cotreatment\|decreases^expression	11318962
17	58-93-5	CDKN2A	Rattus norvegicus	[Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine] inhibits the reaction [Desoxycorticosterone Acetate affects the localization of CDKN2A protein]	affects^cotreatment\|affects^localization\|decreases^reaction	18504326
18	58-93-5	CDKN2A	Rattus norvegicus	[Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine] inhibits the reaction [Desoxycorticosterone Acetate results in increased expression of CDKN2A mRNA]	affects^cotreatment\|decreases^reaction\|increases^expression	18504326
19	58-93-5	CMA1	Rattus norvegicus	Hydrochlorothiazide affects the expression of CMA1 mRNA	affects^expression	18796534
20	58-93-5	CYBA	Rattus norvegicus	Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of CYBA]	decreases^expression\|increases^reaction	21107329
21	58-93-5	CYBB	Rattus norvegicus	Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of CYBB]	decreases^expression\|increases^reaction	21107329
22	58-93-5	CYP11B2	Rattus norvegicus	Hydrochlorothiazide results in increased expression of CYP11B2 mRNA	increases^expression	18796534
23	58-93-5	EDN1	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of EDN1 mRNA]	decreases^reaction\|increases^expression	16326922
24	58-93-5	FLT1	Rattus norvegicus	[Hydralazine co-treated with Hydrochlorothiazide] inhibits the reaction [Cyclosporine results in increased expression of FLT1 mRNA]	affects^cotreatment\|decreases^reaction\|increases^expression	12110003
25	58-93-5	HLA-DPA1	Homo sapiens	Hydrochlorothiazide affects the expression of HLA-DPA1 mRNA	affects^expression	25811541
26	58-93-5	HLA-DRB1	Homo sapiens	Hydrochlorothiazide affects the expression of HLA-DRB1 mRNA	affects^expression	25811541
27	58-93-5	HLA-E	Homo sapiens	Hydrochlorothiazide affects the expression of HLA-E mRNA	affects^expression	25811541
28	58-93-5	HLA-F	Homo sapiens	Hydrochlorothiazide affects the expression of HLA-F mRNA	affects^expression	25811541
29	58-93-5	KLK1	Rattus norvegicus	Hydrochlorothiazide results in increased expression of KLK1 mRNA	increases^expression	18796534
30	58-93-5	LEPR	Mus musculus	LEPR mutant form results in increased susceptibility to Hydrochlorothiazide	increases^response to substance	22949526
31	58-93-5	MR1	Homo sapiens	Hydrochlorothiazide affects the expression of MR1 mRNA	affects^expression	25811541
32	58-93-5	MYH7	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of MYH7 mRNA]	decreases^reaction\|increases^expression	16326922
33	58-93-5	NOS3	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in decreased expression of NOS3 protein]	decreases^expression\|decreases^reaction	16197366
34	58-93-5	NOX1	Rattus norvegicus	Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of NOX1]	decreases^expression\|increases^reaction	21107329
35	58-93-5	NOX4	Rattus norvegicus	Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of NOX4]	decreases^expression\|increases^reaction	21107329
36	58-93-5	NPPB	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of NPPB mRNA]	decreases^reaction\|increases^expression	16326922
37	58-93-5	NR3C2	Rattus norvegicus	Hydrochlorothiazide results in increased expression of NR3C2 mRNA	increases^expression	18796534
38	58-93-5	PCNA	Rattus norvegicus	[troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of PCNA protein	affects^cotreatment\|decreases^expression	11318962
39	58-93-5	PTGS2	Rattus norvegicus	[rofecoxib results in decreased activity of PTGS2 protein] inhibits the reaction [Hydrochlorothiazide results in increased abundance of Prostaglandins]	decreases^activity\|decreases^reaction\|increases^abundance	11703585
40	58-93-5	RAMP2	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of RAMP2 protein]	decreases^reaction\|increases^expression	16326922
41	58-93-5	RAMP3	Rattus norvegicus	Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of RAMP3 protein]	decreases^reaction\|increases^expression	16326922
42	58-93-5	REN	Homo sapiens	Hydrochlorothiazide results in increased activity of REN protein	increases^activity	1930859\|2920503
43	58-93-5	REN	Homo sapiens	Hydrochlorothiazide results in increased expression of REN protein	increases^expression	12569265
44	58-93-5	REN	Homo sapiens	Losartan promotes the reaction [Hydrochlorothiazide results in increased expression of REN protein]	increases^expression\|increases^reaction	12569265
45	58-93-5	REN	Homo sapiens	Sodium affects the reaction [Hydrochlorothiazide results in increased activity of REN protein]	affects^reaction\|increases^activity	1930859
46	58-93-5	SERPINE1	Rattus norvegicus	[troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of SERPINE1 mRNA	affects^cotreatment\|decreases^expression	11318962
47	58-93-5	SERPINE1	Rattus norvegicus	[troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of SERPINE1 protein	affects^cotreatment\|decreases^expression	11318962
48	58-93-5	SLC12A3		Hydrochlorothiazide results in decreased activity of SLC12A3 protein	decreases^activity	21963515\|22949526
49	58-93-5	SLC22A6	Rattus norvegicus	Hydrochlorothiazide results in increased expression of SLC22A6 protein	increases^expression	12897087
50	58-93-5	SLC12A4	Oryctolagus cuniculus	Trichlormethiazide results in decreased activity of SLC12A4 protein	decreases^activity	10913127
51	58-93-5	SLC12A7	Mus musculus	Trichlormethiazide results in decreased activity of SLC12A7 protein	decreases^activity	10913127
52	58-93-5	TPMT	Homo sapiens	Trichlormethiazide results in decreased activity of TPMT protein	decreases^activity	8866635