2-Descarboxy-2-cyano telmisartan (CED0190819)

Record Information

Version

1.0

Creation Date

2026-04-05 16:56:42 UTC

Update Date

2026-08-22 11:07:03 UTC

Accession Number

CHEM104689

Identification

Common Name

2-Descarboxy-2-cyano telmisartan

Class

Small Molecule

Description

2-Descarboxy-2-cyano telmisartan (C33H29N5) is an organic compound with an average molecular weight of 495.63 g/mol. 2-Descarboxy-2-cyano telmisartan belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has been identified in one recorded source: drinking water and water supply (drinking water). The recorded exposure route for this compound is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₃H₂₉N₅

Average Molecular Mass

495.630 g/mol

Monoisotopic Mass

495.242 g/mol

CAS Registry Number

144702-27-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C#N

InChI Identifier

InChI=1S/C33H29N5/c1-4-9-31-36-32-22(2)18-26(33-35-28-12-7-8-13-29(28)37(33)3)19-30(32)38(31)21-23-14-16-24(17-15-23)27-11-6-5-10-25(27)20-34/h5-8,10-19H,4,9,21H2,1-3H3

InChI Key

XIEVZYAEXURSHX-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
992.0	Log mg/kg	[560:1800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	21.5642
Click to view 3D structure	Type-1 angiotensin II receptor B	P29089	Rattus norvegicus	Predicted (SEA)	9.34191
Click to view 3D structure	Type-1 angiotensin II receptor A	P25095	Rattus norvegicus	Predicted (SEA)	9.34191
Click to view 3D structure	Type-2 angiotensin II receptor	P50052	Humans	Predicted (SEA)	11.9888
Click to view 3D structure	Type-1 angiotensin II receptor	P34976	Oryctolagus cuniculus	Predicted (SEA)	15.8812
Click to view 3D structure	Type-1 angiotensin II receptor	P25104	Bos taurus	Predicted (SEA)	14.5578
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	326.266
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	58.5426
Click to view 3D structure	Type-2 angiotensin II receptor	P35351	Rattus norvegicus	Predicted (SEA)	19.7737
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	53.8717
Click to view 3D structure	Solute carrier organic anion transporter family member 1B1	Q9Y6L6	Humans	Predicted (SEA)	10.0426
Click to view 3D structure	Solute carrier organic anion transporter family member 1B3	Q9NPD5	Humans	Predicted (SEA)	7.86277
Click to view 3D structure	Complement component 3a receptor 1, isoform CRA_a	A8K2H7	Homo sapiens	Predicted (SEA)	13.6236
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P23204	Mus musculus	Predicted (SEA)	16.1926
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37238	Mus musculus	Predicted (SEA)	14.9471
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	65.0819
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	P35396	Mus musculus	Predicted (SEA)	10.3539
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	157.723
Click to view 3D structure	Endothelin-1 receptor	P25101	Humans	Predicted (SEA)	154.764
Click to view 3D structure	Angiotensinogen	P01015	Rattus norvegicus	Predicted (SEA)	16.4262
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	153.052
Click to view 3D structure	Type-1 angiotensin II receptor	Q9WV26	Cavia porcellus	Predicted (SEA)	13.3122
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	91.7064
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	64.6149
Click to view 3D structure	Glycine receptor subunit alpha-1	P23415	Humans	Predicted (SEA)	3.42537