CAS
97872-30-5 Purity
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97872-30-5 Purity
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6-Amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid
CAS
97878-35-8
Catalog Number
ACM97878358
Category
Other Products
Molecular Weight
363.408 g/mol
Molecular Formula
C18H25N3O5
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Specification
Synonyms
Libenzapril; 1H-1-Benzazepine-1-acetic acid, 3-[(5-amino-1-carboxypentyl)amino]-2,3,4,5-tetrahydro-2-oxo-, [S-(R*,R*)]-; Abutapril; 6-amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid;
IUPAC Name
(2S)-6-amino-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid
InChI Key
AXTCRUUITQKBAV-KBPBESRZSA-N
Boiling Point
692.9±55.0 °C (760 mmHg)
Density
1.33±0.1 g/cm³ (20 °C, 760 mmHg)
Exact Mass
363.17900
H-Bond Acceptor
7
H-Bond Donor
4
What is the molecular formula of the compound with PubChem CID 57327?
The molecular formula is C18H25N3O5.
What is the molecular weight of the compound?
The molecular weight is 363.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 6-amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid.
What is the InChIKey of the compound?
The InChIKey is AXTCRUUITQKBAV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 4 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 133 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -3.9.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
When was the compound created and last modified?
The compound was created on 2005-08-08 and last modified on 2023-12-30.
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97873-31-9 Purity
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97874-31-2 Purity
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