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Details

Stereochemistry RACEMIC
Molecular Formula C16H19N3S.ClH
Molecular Weight 321.868
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTHIPENDYL HYDROCHLORIDE

SMILES

Cl.CC(CN1C2=C(SC3=C1N=CC=C3)C=CC=C2)N(C)C

InChI

InChIKey=RQHCFTORMXCNGP-UHFFFAOYSA-N
InChI=1S/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C16H19N3S
Molecular Weight 285.407
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description
Curator's Comment: description was created based on several sources, including https://www.drugs.com/international/isothipendyl.html | https://www.ncbi.nlm.nih.gov/pubmed/22677929 | https://www.ncbi.nlm.nih.gov/pubmed/13792589 | https://www.ncbi.nlm.nih.gov/pubmed/14157559

Isothipendyl is a first generation H1 antagonist (antihistamine) and anticholinergic used as an antipruritic. It is nowadays scarcely used in the first line relief of allergies due to the anticholinergic side effect of somnolence but does have some limited use through topical application in the relief of insect bites and related itching (pruritus).

Originator

Chemiewerk Homburg
5
Sources: Arzneimittel-Forschung, Volume 7, Pages 237-52, Journal, 1957

Approval Year

1957
114
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2778
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8429
Calmogel

Approved Use

Unknown
Doses

Doses

DosePopulationAdverse events​
1 % single, topical
Recommended
Dose: 1 %
Route: topical
Route: single
Dose: 1 %
Sources:
https://pubmed.ncbi.nlm.nih.gov/6138212
Page: p.429
unhealthy, 41
n = 41
Health Status: unhealthy
Condition: Dermatisis
Age Group: 41
Sex: F
Population Size: 41
Sources:
https://pubmed.ncbi.nlm.nih.gov/6138212
Page: p.429
Disc. AE: Allergic contact dermatitis...
AEs leading to
discontinuation/dose reduction:
Allergic contact dermatitis
Sources:
https://pubmed.ncbi.nlm.nih.gov/6138212
Page: p.429
72 mg multiple, oral (max)
Studied dose
Dose: 72 mg
Route: oral
Route: multiple
Dose: 72 mg
Sources:
https://pubmed.ncbi.nlm.nih.gov/13792589
Page: p.160
unhealthy
n = 72
Health Status: unhealthy
Condition: Urticaria | sensitization dermatitis|dermatoses
Sex: M+F
Population Size: 72
Sources:
https://pubmed.ncbi.nlm.nih.gov/13792589
Page: p.160
Disc. AE: Weakness generalised...
AEs leading to
discontinuation/dose reduction:
Weakness generalised (1 patient)
Sources:
https://pubmed.ncbi.nlm.nih.gov/13792589
Page: p.160
AEs

AEs

AESignificanceDosePopulation
Allergic contact dermatitis Disc. AE
1 % single, topical
Recommended
Dose: 1 %
Route: topical
Route: single
Dose: 1 %
Sources:
https://pubmed.ncbi.nlm.nih.gov/6138212
Page: p.429
unhealthy, 41
n = 41
Health Status: unhealthy
Condition: Dermatisis
Age Group: 41
Sex: F
Population Size: 41
Sources:
https://pubmed.ncbi.nlm.nih.gov/6138212
Page: p.429
Weakness generalised 1 patient
Disc. AE
72 mg multiple, oral (max)
Studied dose
Dose: 72 mg
Route: oral
Route: multiple
Dose: 72 mg
Sources:
https://pubmed.ncbi.nlm.nih.gov/13792589
Page: p.160
unhealthy
n = 72
Health Status: unhealthy
Condition: Urticaria | sensitization dermatitis|dermatoses
Sex: M+F
Population Size: 72
Sources:
https://pubmed.ncbi.nlm.nih.gov/13792589
Page: p.160
Sourcing

Sourcing

Vendor/AggregatorIDURL
001 Chemical
DY556280
https://www.001chemical.com/chem/482-15-5
3B Scientific (Wuhan) Corp
3B2-1237
http://www.3bsc.com/index/pro_info.php?id=54953
AHH Chemical co.,ltd
MT-52993
http://www.ahhchemical.com/product/MT-52993.html
Alfa Chemistry
482-15-5
https://www.alfa-chemistry.com/isothipendyl-cas-482-15-5-item-292149.htm
Clearsynth
CS-T-56921
https://www.clearsynth.com/en/CST56921.html
Finetech
FT-0670563
http://www.finetechnology-ind.com/prod/detail/pub/482-15-5.html
Molcore
MC556280
https://www.molcore.com/product/482-15-5
MuseChem
I007385
https://www.musechem.com/product/I007385.html
Smolecule
S530976
http://www.smolecule.com/products/s530976
THE BioTek
bt-270103
https://www.thebiotek.com/product/inhibitors/bt-270103
Yuhao Chemical
RT10332
http://www.chemyuhao.com/482-15-5.html
eNovation Chemicals
D674442
https://www.enovationchem.com/ProductDetails.asp?ProductID=D674442
PubMed

PubMed

TitleDatePubMed
Phototoxic and photoprotective effects of topical isothipendyl.
1995 Apr
Spectrophotometric determination of molybdenum(VI) using isothipendyl hydrochloride and pipazethate hydrochloride in alloy steels and soil samples.
2001 Sep
Spectrophotometric studies on the investigation of chromium in environmental samples.
2003 Jan
Bis[N,N-dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothia-zin-10-yl)propan-2-aminium] tetrakis-(thio-cyanato-κN)cobaltate(II).
2010 Jun 16
Patents

Patents

JPS62265225A
2

Sample Use Guides

In Vivo Use Guide
The dosage of isothipendyl in children was 6 to 8 mg. daily given as a syrup containing 2 mg. per teaspoonful. In adults the dosage varied from one 4 mg. tablet thrice daily to two 12 mg. sustained-action tablets thrice daily
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:36 GMT 2023
Edited
by admin
on Fri Dec 15 15:06:36 GMT 2023
Record UNII
953AP1LBV8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTHIPENDYL HYDROCHLORIDE
JAN   MART.   MI   WHO-DD  
Common Name English
10H-PYRIDO(3,2-B)(1,4)BENZOTHIAZINE-10-ETHANAMINE, N,N,2-TRIMETHYL-, MONOHYDROCHLORIDE
Systematic Name English
ISOTHIPENDYL HYDROCHLORIDE [JAN]
Common Name English
ANDANTOL
Brand Name English
(±)-ISOTHIPENDYL HYDROCHLORIDE
Common Name English
ISOTHIPENDYL HYDROCHLORIDE [MI]
Common Name English
Isothipendyl hydrochloride [WHO-DD]
Common Name English
ISOTHIPENDYL HCL
Common Name English
10-(2-DIMETHYLAMINOPROPYL)-10H-PYRIDO(3,2-B)(1,4)BENZOTHIAZINE HYDROCHLORIDE
Systematic Name English
ISOTHIPENDYL HYDROCHLORIDE [MART.]
Common Name English
ANDANTON
Brand Name English
THERUHISTIN
Brand Name English
NILERGEX
Brand Name English
NSC-169186
Code English
ISOTHIPENDYL HYDROCHLORIDE, (±)-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
Code System Code Type Description
MERCK INDEX
m6543
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY Merck Index
NSC
169186
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
RXCUI
235726
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY RxNorm
ChEMBL
CHEMBL2111066
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-957-9
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
DRUG BANK
DBSALT000907
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
PUBCHEM
14668
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
CAS
1225-60-1
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
EVMPD
SUB02807MIG
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
FDA UNII
953AP1LBV8
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID1046845
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
MESH
C008214
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
SMS_ID
100000088204
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
CAS
34433-15-3
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
NON-SPECIFIC STOICHIOMETRY
NCI_THESAURUS
C76063
Created by admin on Fri Dec 15 15:06:36 GMT 2023 , Edited by admin on Fri Dec 15 15:06:36 GMT 2023
PRIMARY
Related Record Type Details
Structure of ISOTHIPENDYL
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of ISOTHIPENDYL
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