O-(4-氯苯甲酰)氢奎并啶

CAS号
113162-02-0
CCD编号
CCD00075082
分子式
C27 H29 Cl N2 O3
分子量
464.99

基本信息

产品名称: O-(4-氯苯甲酰)氢奎并啶
CAS: 113162-02-0
中文同义词: O-(4-氯苯甲酰基)氢化奎尼丁 ; O-(4-氯苯甲酰)氢奎并啶
英文同义词: HYDROQUINIDINE 4-CHLOROBENZOATE ; O-(4-CHLOROBENZOYL)HYDROQUINIDINE ; 10,11-DIHYDROQUINIDINE P-CHLOROBENZOATE ; DIHYDROQUINIDINE 4-CHLOROBENZOATE
MDL号: MFCD00151148
氢键受体数量: 5
氢键供体数量: 0
Smile: CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)OC)OC(=O)c5ccc(cc5)Cl
InChi: InChI=1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19+,25-,26+/m1/s1
InChiKey: InChIKey=TXVNNFDXQZFMBQ-XHYUFEOFSA-N

性质

熔点: 102-105 DEG C(LIT)
注解: LEGAL INFORMATION: SOLD UNDER LICENSE FROM RHODIA PHARMA SOLUTIONS
OPTICAL ACTIVITY: [ALPHA]26/D -73 DEG, C = 1 IN ETHANOL
UNSPSC: 12352100
WGK: 3

安全信息

符号: GHS07 GHS07
信号词: Warning
危险声明: H315-H319-H335
警示性声明: P261-P305 + P351 + P338
危害码: Xi
风险声明: R:36/37/38
安全声明: S:26-36
WGK德国: 3

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