Benazepril Related Compound F

Basic Information

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CAS Number

109010-60-8

Molecular Formula

C16H22N2O3

Molecular Weight

290.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

115-116 ºC

Boiling Point

483.2°C at 760 mmHg

Density

1.133

Flash Point

246℃

Solubility

DMSO: ~34 mg/mL, soluble

Refractive Index

1.543

Specific Rotation

-270 º (c=0.5, EtOH)

SMILES

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CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)N

InChI

InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1

InChIKey

QTEDVVHLTMELTB-LBPRGKRZSA-N

LogP

1.6347999999999996

Topological Polar Surface Area

72.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

403

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-
MFCD03426719
AN-668/40768843
(S)-1-((TERT-BUTYLOXYCARBONYL)METHYL)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-(1)BENZAZEPIN-2-ONE
(S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
SCHEMBL5698825
AKOS015888693
CS-D0726
DTXSID80148797
tert-Butyl (3S)-3-amino-2,3,4,5-tetrahydro-1H-(1)-benzazepin-2-one-1-acetate
(S)-1,1-DIMETHYLETHYL 3-AMINO-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZ(B)AZEPIN-1-ACETATE
(S)-neopentyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
(S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
AKOS015854177
tert-butyl (3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate
(3S)-3-amino-1-t-butoxycarbonylmethyl-2,3,4,5-tetrahydro-1H-benzazepin-2-one
tert-butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
1,1-Dimethylethyl [(3S)-3-Amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate
T-butyl,3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1acetate
AC-767
5WJ869A7AY
BENAZEPRIL HYDROCHLORIDE IMPURITY F [EP IMPURITY]
J-502511
DS-1653
tert-butyl (3S)-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate
109010-60-8
tBu-(S)-(3-amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl) Acetate
BCP13482
(s)-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine-1-acetic acid t-butyl ester
(S)-tert-Butyl2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
EC 700-294-7

MDL Number

MFCD03426719

Customs Code

2933990090

FAQ

What is Benazepril Related Compound F (CAS: 109010-60-8)?

Benazepril Related Compound F (CAS: 109010-60-8) is a chemical compound that is related to the active ingredient benazepril, which is an ACE inhibitor used in the treatment of hypertension and heart failure. It is a white to off-white solid with a molecular formula of C21H26N2O3 and a molecular weight of approximately 346.48 g/mol.

What are the main uses of Benazepril Related Compound F (CAS: 109010-60-8)?

Benazepril Related Compound F (CAS: 109010-60-8) is primarily used for research purposes to evaluate the pharmacological properties and potential analogues of benazepril. It is a useful tool in understanding the interactions and effects of ACE inhibitors in cardiovascular diseases.

Is Benazepril Related Compound F (CAS: 109010-60-8) safe?

Benazepril Related Compound F (CAS: 109010-60-8) is generally safe when handled with proper precautions. It is important to avoid contact with eyes, skin, and inhalation of dust. Protective equipment such as gloves and goggles should be used. It is not considered hazardous to the environment under normal use conditions.

How should Benazepril Related Compound F (CAS: 109010-60-8) be stored?

Benazepril Related Compound F (CAS: 109010-60-8) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture absorption. The recommended storage temperature is between 15°C and 30°C (59°F and 86°F).