ChemFOnt: Showing chemical card for Caramel (CFc000335140)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:27:30 UTC

Chemfont ID

CFc000335140

Molecule Identification

Common Name

Caramel

Definition

The substance obtained by controlled heat treatment of food-grade carbohydrates. Food-grade acids, alkalies, and salts may be used to assist carmelization. Food-grade antifoaming agents may be used in an amount not greater than that required to produce the intended effect. Consists essentially of colloidal aggregates that are dispersible in water but only partly dispersible in alcohol-water solutions. Depending upon the particular carmelizing agent used, may have a positive or negative colloidal charge in solution. (SciFinder).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S-(1(R(r)),2alpha,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid	ChEBI
Altace	ChEBI
Ramiprilum	ChEBI
Tritace	ChEBI
(2S-(1(R(r)),2a,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylate	Generator
(2S-(1(R(r)),2a,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid	Generator
(2S-(1(R(r)),2alpha,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylate	Generator
(2S-(1(R(r)),2α,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylate	Generator
(2S-(1(R(r)),2α,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid	Generator
Almirall brand OF ramipril	HMDB
Delix	HMDB
Hoechst brand OF ramipril	HMDB
Monarch brand OF ramipril	HMDB
Zabien	HMDB
Aventis brand OF ramipril	HMDB
Carasel	HMDB
HOE 498	HMDB
HOE-498	HMDB
Triatec	HMDB
Vesdil	HMDB
Astra brand OF ramipril	HMDB
Promed brand OF ramipril	HMDB
Acovil	HMDB
AstraZeneca brand OF ramipril	HMDB
Aventis pharma brand OF ramipril	HMDB
Ramace	HMDB

Chemical Formula

C₂₃H₃₂N₂O₅

Average Molecular Weight

416.5106

Monoisotopic Molecular Weight

416.231122144

IUPAC Name

(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

Traditional Name

ramipril

CAS Registry Number

8028-89-5

SMILES

[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC

InChI Identifier

InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1

InChI Key

HDACQVRGBOVJII-JBDAPHQKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Alpha-amino acid ester
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
N-acylpyrrolidine
Fatty acid ester
Aralkylamine
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Benzenoid
Fatty acyl
Tertiary carboxylic acid amide
Pyrrolidine
Amino acid or derivatives
Carboxamide group
Carboxylic acid ester
Amino acid
Azacycle
Secondary aliphatic amine
Carboxylic acid
Organoheterocyclic compound
Secondary amine
Hydrocarbon derivative
Amine
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic oxide
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dicarboxylic acid monoester (CHEBI:8774 )
ethyl ester (CHEBI:8774 )
azabicycloalkane (CHEBI:8774 )
dipeptide (CHEBI:8774 )
cyclopentapyrrole (CHEBI:8774 )

Functional Ontology

Cellular substructure

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0014324)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0014324)

Source

Exogenous

Exogenous (HMDB: HMDB0014324)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Ramipril Metabolism Pathway (HMDB: HMDB0014324)

Drug action pathway

Ramipril Action Pathway (HMDB: HMDB0014324)

Role

Industrial application

Pharmaceutical industry

Antihypertensive (HMDB: HMDB0014324)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.039 g/L	ALOGPS
logP	0.92	ALOGPS
logP	1.47	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	3.75	ChemAxon
pKa (Strongest Basic)	5.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	95.94 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	111.19 m³·mol⁻¹	ChemAxon
Polarizability	44.78 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon