HYDROQUINIDINE 4-CHLOROBENZOATE

CAS No.
113162-02-0
CCD No.
CCD00075082
Formula
C27 H29 Cl N2 O3
MolWeight
464.99

Basic Information

Product Name: HYDROQUINIDINE 4-CHLOROBENZOATE
CAS: 113162-02-0
English Synonyms: O-(4-CHLOROBENZOYL)HYDROQUINIDINE ; 10,11-DIHYDROQUINIDINE P-CHLOROBENZOATE ; HYDROQUINIDINE 4-CHLOROBENZOATE ; DIHYDROQUINIDINE 4-CHLOROBENZOATE
MDL Number.: MFCD00151148
H bond acceptor: 5
H bond donor: 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

Property

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

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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