Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with ethyl acetate and methyl 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetate (1:1:1)

CAS Registry Number®

2244994-24-7

CAS Name

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with ethyl acetate and methyl 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetate (1:1:1)

Molecular Formula

C30H30F4N4O4.C20H18O8.C4H8O2

Cite this Page

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with ethyl acetate and methyl 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetate (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2244994-24-7 (retrieved 2024-12-20) (CAS RN: 2244994-24-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H30F4N4O4.C20H18O8.C4H8O2/c1-40-21-7-4-6-20(17-21)36-12-14-37(15-13-36)29-35-28-22(8-5-9-23(28)31)24(18-27(39)42-3)38(29)25-16-19(30(32,33)34)10-11-26(25)41-2;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-3-6-4(2)5/h4-11,16-17,24H,12-15,18H2,1-3H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24);3H2,1-2H3/t24-;15-,16-;/m00./s1

InChIKey

InChIKey=CTUAAPGOFXTEJK-KPXZVEDASA-N

SMILES

C(C(OC)=O)[C@@H]1N(C(=NC=2C1=CC=CC2F)N3CCN(CC3)C4=CC(OC)=CC=C4)C5=C(OC)C=CC(C(F)(F)F)=C5.[C@@H]([C@H](OC(=O)C1=CC=C(C)C=C1)C(O)=O)(OC(=O)C2=CC=C(C)C=C2)C(O)=O.O(C(C)=O)CC

Canonical SMILES

O=C(OC(C(=O)O)C(OC(=O)C1=CC=C(C=C1)C)C(=O)O)C2=CC=C(C=C2)C.O=C(OCC)C.O=C(OC)CC1C=2C=CC=C(F)C2N=C(N1C3=CC(=CC=C3OC)C(F)(F)F)N4CCN(C=5C=CC=C(OC)C5)CC4

Other Names for this Substance

  • Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with ethyl acetate and methyl 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetate (1:1:1)

CAS INSIGHTSTM
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