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Molecular Structure:
CCD No.:CCD00443816
TERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
CAS No.:
125971-95-1
;
12597-95-4
Formula:
C40 H47 F N2 O5
MolWeight:
654.818
Mol:
TERT-BUTYL (4R,6R)-2… .mol
Detailed
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Detailed
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Basic Information
Product Name:
TERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
CAS:
125971-95-1
;
12597-95-4
English Synonyms:
TERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
;
(4R,6R)-1,3-DIOXANE-4-ACETIC ACID 6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,1-DIMETHYLETHYL ESTER
;
(4R,6R)-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETIC ACID 1,1-DIMETHYLETHYL ESTER
;
(4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-ISOPROPYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
;
(4R-CIS)-1,1-DIMETHYLETHYL-6-(2-FLUOROPHENYL)-5-[[(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2, 2-DIMETHYL-1, 3-DIOXANE-4-ACETATE
;
(4R,6R)-1,3-DIOXANE-4-ACETIC ACID,6-[2-2[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,1-DIMETHYLETHYL ESTER
;
ATORVASTATIN ACETONIDE T-BUTYL ESTER
;
1,3-DIOXANE-4-ACETIC ACID, 6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER, (4R,6R)-
;
TERT-BUTYL 2-((4R,6R)-6-(2-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
;
(4R-CIS)-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETIC ACID, 1,1-DIMETHYLETHYL ESTER
;
ATORVASTATIN CALCIUM INTERMEDIATE L1
;
(4R-CIS)-1,1-DIMETHYLETHYL-6-[[2-(4-FLUOROPHENYL)-5-(1-ISOPROPYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
;
ATORVASTATIN ACETONIDE TERT-BUTYL ESTER
;
TERT-BUTYL (4R,6R)-6-[2-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)-1-PYRROLYL]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
;
TERT-BUTYL (4R,6R)-2-[6-[2-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
MDL Number.:
MFCD04039904
H bond acceptor:
7
H bond donor:
1
Smile:
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5
InChi:
InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
InChiKey:
InChIKey=NPPZOMYSGNZDKY-ROJLCIKYSA-N
Property
Melting Point:
144-148 DEG C(LIT)
Comments:
OPTICAL ACTIVITY: [ALPHA]20/D +6.5 DEG, C = 1 IN CHLOROFORM
UNSPSC: 12352100
WGK: 3
Safety information
WGK Germany:
3
* If the product has intellectual property rights, a license granted is must or contact us.
Related products
TERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
TERT-BUTYL 2-((4R,6R)-6-(2-(2-(4-FLUOROPHENYL)-4-(4-HYDROXYPHENYLCARBAMOYL)-5-ISOPROPYL-3-PHENYL-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
(4R,6R)-TERT-BUTYL-6-CYANOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
TERT-BUTYL 2-((4S,6R)-6-(CYANOMETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
(4R,6R)-TERT-BUTYL-6-(2-AMINOETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
TERT-BUTYL (4R-CIS)-6-[(ACETYLOXY)METHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
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