102584-98-5
9H-XANTHENE-9-CARBOXYLIC ACID, 1-(PHENYLMETHYL)-3-PYRROLIDINYL ESTER, HYDROCHLORIDE
Name9H-XANTHENE-9-CARBOXYLIC ACID, 1-(PHENYLMETHYL)-3-PYRROLIDINYL ESTER, HYDROCHLORIDE
FormulaC25 H23 N O3 . Cl H
1Identification
【Name】
9H-XANTHENE-9-CARBOXYLIC ACID, 1-(PHENYLMETHYL)-3-PYRROLIDINYL ESTER, HYDROCHLORIDE
【CAS】
【MDL】
MFCD01741552
【English Synonyms】
【Formula】
C25 H23 N O3 . Cl H
【MolWeight】
421.922
【Inchi】
InChI=1S/C25H23NO3.ClH/c27-25(28-19-14-15-26(17-19)16-18-8-2-1-3-9-18)24-20-10-4-6-12-22(20)29-23-13-7-5-11-21(23)24;/h1-13,19,24H,14-17H2;1H
【InChIKey】
InChIKey=WFVFSWYFKTYBCV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CN2CCC(C2)OC(=O)C3c4ccccc4Oc5c3cccc5.Cl
【MOL File】
9H-XANTHENE-9-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9H-XANTHENE-9-CARBOXYLIC ACID, 1-(PHENYLMETHYL)-3-PYRROLIDINYL ESTER, HYDROCHLORIDE.cml