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| CAS No.: | 81872-10-8 |
|---|---|
| Name: | 1-NAPHTHALENEACETIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C22H23NO4S2 |
| Molecular Weight: | 429.561 |
| Synonyms: | L-Proline,1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-, [1(R*),2a,4a]-;UNII-290ZY759PI;Zofenoprilum [Latin];Zofenoprilum; |
| EINECS: | 201-705-8 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 129-131.5 °C(lit.) |
| Boiling Point: | 646.3 °C at 760 mmHg |
| Flash Point: | 344.7 °C |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 23-24/25 |
| PSA: | 125.28000 |
| LogP: | 3.98040 |
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- Total:34 Page 1 of 1 1
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Chemistry
Molecular Structure of L-Proline,1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- (CAS No. 81872-10-8):
IUPAC Name: (2S,4S)-1-[(2S)-3-Benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
Molecular Formula: C22H23NO4S2
Molecular Weight: 429.55
CAS Registry Number: 81872-10-8
Appearance: yellow crystalline
Melting Point: 129-131.5 °C(lit.)
Index of Refraction: 1.658
Molar Refractivity: 117.45 cm3
Molar Volume: 318.6 cm3
Surface Tension: 65.3 dyne/cm
Density: 1.34 g/cm3
Flash Point: 344.7 °C
Enthalpy of Vaporization: 100.17 kJ/mol
Boiling Point: 646.3 °C at 760 mmHg
Vapour Pressure: 1.38E-17 mmHg at 25°C
Product Categories: Angiotensin-converting enzyme inhibitors; Antihypertensive agents; Cardiovascular Agents; Enzyme Inhibitors; Protease Inhibitors
Structure Descriptors of L-Proline,1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- (CAS No. 81872-10-8):
SMILES: O=C(N2[C@H](C(=O)O)C[C@H](Sc1ccccc1)C2)[C@H](C)CSC(=O)c3ccccc3
InChI: InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1
InChIKey: IAIDUHCBNLFXEF-MNEFBYGVBI
Std. InChI: InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1
Std. InChIKey: IAIDUHCBNLFXEF-MNEFBYGVSA-N
Safety Profile
Safety Information of L-Proline,1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- (CAS No. 81872-10-8):
Hazard Codes: Xn,Xi 
Risk Statements: 22-37/38-41
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: QJ0875000
HazardClass: IRRITANT
Specification
L-Proline,1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- with cas registry number of 81872-10-8 is also called Zofenopril ; Zofenopril [INN:BAN] ; UNII-290ZY759PI ; Zofenoprilum ; Zofenoprilum [Latin] ; L-Proline, 1-(3-(benzoylthio)-2-methyl-1-oxopropyl)-4-(phenylthio)-, (1(R*),2alpha,4alpha)- ; (4S)-N-[3-(Benzoylsulfanyl)-2(S)-methylpropionyl]-4-(phenylsulfanyl)-L-proline .