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2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • Newblue-chem-2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid,111902-57-9

    Cas No: 111902-57-9

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  • 111902-57-9 Structure
  • Basic information

    1. Product Name: 2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
    2. Synonyms: (+)-[(2s,6r)-6-[[(s)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl]acetic acid;2-[(2s)-6-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;TEMOCAPRIL;TEMOCAPRIL DISCONTINUED SEE T017301;Temocapil;(2S,6R)-6-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic Aci;1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, (2S,6R)- (9CI);1,4-Thiazepine-4(5H)-acetic acid, 6-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, [2S-[2a,6b(R*)]]-
    3. CAS NO:111902-57-9
    4. Molecular Formula: C23H28N2O5S2
    5. Molecular Weight: 476.60882
    6. EINECS: N/A
    7. Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals
    8. Mol File: 111902-57-9.mol
  • Chemical Properties

    1. Melting Point: 1680C
    2. Boiling Point: 717.4 °C at 760 mmHg
    3. Flash Point: 387.7 °C
    4. Appearance: Crystalline powder
    5. Density: 1.33 g/cm3
    6. Vapor Pressure: 3.18E-23mmHg at 25°C
    7. Refractive Index: 1.665
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 3.73±0.10(Predicted)
    11. CAS DataBase Reference: 2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid(111902-57-9)
    13. EPA Substance Registry System: 2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid(111902-57-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 111902-57-9(Hazardous Substances Data)

111902-57-9 Usage

Chemical Properties

Crystalline Powder

Check Digit Verification of cas no

The CAS Registry Mumber 111902-57-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,9,0 and 2 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 111902-57:
(8*1)+(7*1)+(6*1)+(5*9)+(4*0)+(3*2)+(2*5)+(1*7)=89
89 % 10 = 9
So 111902-57-9 is a valid CAS Registry Number.
InChI:InChI=1/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1

111902-57-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid

1.2 Other means of identification

Product number -
Other names 2-((2S,6R)-6-((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-ylamino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)aceticacid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:111902-57-9 SDS

111902-57-9Relevant articles and documents

Synthesis of 1,4-Thiazepine Derivatives Having Angiotensin-Converting Enzyme Inhibitory Property

Yanagisawa, Hiroaki,Ishihara, Sadao,Ando, Akiko,Kanazaki, Takuro

, p. 137 - 140 (2007/10/02)

Reduction of (6R)-6-amino-6,7-dihydro-2-thienyl-1,4-thiazepin-5(4H)-one derivatives with Mg-MeOH gave the corresponding perhydrothiazepinones.Protection with trityl group at the 6-amino group gave predominantly the 2S,6R isomer which was converted to the

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