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159878-26-9

(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanesulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide is a complex organic compound characterized by its molecular structure that includes a sulfanyl and methanesulfonamido group. It is a carboxamide derivative with a variety of functional groups such as hydroxy and phenyl groups. (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide has a molecular formula of C36H53FN4O4S and a molecular weight of approximately 660.9 g/mol.

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  • (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

    Cas No: 159878-26-9

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  • 159878-26-9 Structure

  • Basic information

    1. Product Name: (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
    2. Synonyms: (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
    3. CAS NO:159878-26-9
    4. Molecular Formula: C34H49FN4O5S2
    5. Molecular Weight: 676.9051
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 159878-26-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: °Cat760mmHg
    3. Flash Point: °C
    4. Appearance: /
    5. Density: 1.27g/cm3
    6. Refractive Index: 1.605
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide(159878-26-9)
    11. EPA Substance Registry System: (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide(159878-26-9)

  • 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: 159878-26-9(Hazardous Substances Data)

159878-26-9 Usage

Uses

1. Used in Pharmaceutical Industry:
(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanesulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide is used as a potential pharmaceutical candidate for the development of new drugs due to its complex molecular structure and the presence of various functional groups that can interact with biological targets.
2. Used in Chemical Research:
(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide can be utilized in chemical research for studying the synthesis, reactivity, and potential applications of complex organic molecules containing sulfanyl and methanesulfonamido groups, as well as carboxamide derivatives.
3. Used in Material Science:
(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide may also find applications in material science, particularly in the development of new materials with specific properties conferred by its unique molecular structure and functional groups.

Check Digit Verification of cas no

The CAS Registry Mumber 159878-26-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,9,8,7 and 8 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 159878-26:
(8*1)+(7*5)+(6*9)+(5*8)+(4*7)+(3*8)+(2*2)+(1*6)=199
199 % 10 = 9
So 159878-26-9 is a valid CAS Registry Number.
InChI:InChI=1/C34H49FN4O5S2/c1-34(2,3)37-33(42)30-19-24-12-8-9-13-25(24)20-39(30)21-31(40)28(18-23-10-6-5-7-11-23)36-32(41)29(38-46(4,43)44)22-45-27-16-14-26(35)15-17-27/h5-7,10-11,14-17,24-25,28-31,38,40H,8-9,12-13,18-22H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,29+,30-,31+/m0/s1

159878-26-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

1.2 Other means of identification

Product number -
Other names -

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:159878-26-9 SDS

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