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188936-07-4

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Basic Information
CAS No.: 188936-07-4
Name: (3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide
Article Data: 5
Molecular Structure:
Molecular Structure of 188936-07-4 ((3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide)
Formula: C26H39 N3 O4
Molecular Weight: 457.613
Synonyms: 3-Isoquinolinecarboxamide,2-[2-[4,5-dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl]-2-hydroxyethyl]-N-(1,1-dimethylethyl)decahydro-,[3S-[2[S*(R*)],3a,4ab,8ab]]-
Density: 1.28
Boiling Point: 684.539°C at 760 mmHg
Flash Point: 367.796°C
PSA: 94.39000
LogP: 2.76670
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Chemistry

Molecular structure of (3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide (CAS NO.188936-07-4) is:

Product Name: (3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide
CAS Registry Number: 188936-07-4
Molecular Formula: C26H39N3O4
Molecular Weight: 457.61
Index of Refraction: 1.623 
Molar Refractivity: 125.979 cm3 
Molar Volume: 357.124 cm3 
Surface Tension: 46.719 dyne/cm 
Density: 1.281 g/cm3 
Flash Point: 367.796 °C 
Enthalpy of Vaporization: 105.447 kJ/mol 
Boiling Point: 684.539 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C 
SMILES: O=C(NC(C)(C)C)[C@H]1N(C[C@H]2CCCC[C@H]2C1)C[C@@H](O)[C@H]3/N=C(\OC3)c4c(c(O)ccc4)C
InChI: InChI=1/C26H39N3O4/c1-16-19(10-7-11-22(16)30)25-27-20(15-33-25)23(31)14-29-13-18-9-6-5-8-17(18)12-21(29)24(32)28-26(2,3)4/h7,10-11,17-18,20-21,23,30-31H,5-6,8-9,12-15H2,1-4H3,(H,28,32)/t17-,18+,20-,21-,23+/m0/s1
InChIKey: ZRYANTNFGRJTJS-ZEVUWQFRBE 
Std. InChI: InChI=1S/C26H39N3O4/c1-16-19(10-7-11-22(16)30)25-27-20(15-33-25)23(31)14-29-13-18-9-6-5-8-17(18)12-21(29)24(32)28-26(2,3)4/h7,10-11,17-18,20-21,23,30-31H,5-6,8-9,12-15H2,1-4H3,(H,28,32)/t17-,18+,20-,21-,23+/m0/s1
Std. InChIKey: ZRYANTNFGRJTJS-ZEVUWQFRSA-N

Specification

 (3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide , its cas register number is 188936-07-4. It also can be called (3S,4aS,8aS)-2-[(2R)-2-[(4S)-4,5-Dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl]-2-hydroxyethyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide ; 3-Isoquinolinecarboxamide,2-[(2R)-2-[(4S)-4,5-dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl]-2-hydroxyethyl]-N-(1,1-dimethylethyl)decahydro-,(3S,4aS,8aS)- .