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Temocapril

CAT: 0957-S2100-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S2100-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111902-57-9
Synonyms
CS-622, temocaprilum
Target
RAAS
Applications
Endocrinology & Hormones
Smiles
CCOC (=O) C (CCC1=CC=CC=C1) NC2CSC (CN (C2=O) CC (=O) O) C3=CC=CS3
Molecular Formula
C23H28N2O5S2
Additionnal Information
Temocapril (CS-622, temocaprilum) is a long-acting angiotensin-converting enzyme (ACE) inhibitor, used for the treatment of hypertension.
Storage Conditions
2 years -80 in solvent

Chemical Information

Temocapril

Temocapril is a dipeptide.

CAS Number111902-57-9
PubChem CID443874
IUPAC Name2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Molecular FormulaC23H28N2O5S2
Molecular Weight476.6
XLogP1
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity644
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3
InChI
InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1
InChIKey
FIQOFIRCTOWDOW-BJLQDIEVSA-N
Chemical Structure
2D Structure
2D structure of Temocapril
CAS: 111902-57-9
CID: 443874
Formula: C23H28N2O5S2
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass476.14396435
Monoisotopic Mass476.14396435
Topological Polar Surface Area149 Ų
Heavy Atom Count32
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS386915-01Temocapril
FT28025-01Temocapril hydrochloride
HY-100713S-01Temocapril-d5
HY-B0384-01Temocapril (hydrochloride)
HY-100713RTemocapril (Standard)
A11749-100Temocapril 100mg
M17812-01Temocapril HCl

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