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137590-32-0

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Basic Information
CAS No.: 137590-32-0
Name: (8a,9R)-Cinchonan-9-ol mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate]
Molecular Structure:
Molecular Structure of 137590-32-0 ((8a,9R)-Cinchonan-9-ol mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate])
Formula: C19H29O6P.C19H22N2O
Molecular Weight: 678.80
Synonyms: [R-(R*S*)][[2-Methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphinyl]acetic acid (-)-cinchonidine (1:1) salt;[(2-Methyl-1-propionylpropoxy)(4-phenylbutyl)phosphinoyl]acetic acid-cinchonidine;
EINECS: 415-820-8
Hazard Symbols: IrritantXi
Risk Codes: 41-43-52/53
Safety: 24-26-37/39-61
PSA: 136.07000
LogP: 7.42640
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  • (8a,9R)-Cinchonan-9-ol mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate]

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    (8a,9R)-Cinchonan-9-ol mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate]

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Specification

The systematic name of (8α,9R)-Cinchonan-9-ol mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] is propanoic acid, (1R)-1-[[(carboxymethyl)(4-phenylbutyl)phosphinyl]oxy]-2-methylpropyl ester, compd. with (8α,9R)-cinchonan-9-ol (1:1). With the CAS registry number 137590-32-0, it is also named as [R-(R*S*)][[2-Methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphinyl]acetic acid (-)-cinchonidine (1:1) salt. In addition, its molecular formula is C19H29O6P.C19H22N2O and molecular weight is 678.80.

When you are using this chemical, please be cautious about it as the following: it is risk of serious damage to the eyes that may cause sensitization by skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection to avoid contact with skin. Moreover, it is harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment. Please avoid release to the environment. And refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCC(=O)O[C@@H](C(C)C)OP(=O)(CCCCc1ccccc1)CC(=O)O.C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cccc4)O
(2)InChI: InChI=1/C19H22N2O.C19H29O6P/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-4-18(22)24-19(15(2)3)25-26(23,14-17(20)21)13-9-8-12-16-10-6-5-7-11-16/h2-7,9,13-14,18-19,22H,1,8,10-12H2;5-7,10-11,15,19H,4,8-9,12-14H2,1-3H3,(H,20,21)/t13-,14-,18-,19+;19-,26/m01/s1
(3)InChIKey: AMCLPZVIVCCLMU-ZBTQCTNHBM