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Product Overview

Product Code

TRC-A791395

Product Format

Neat

Molecular Formula

C18H22N2O2

Molecular Weight

298.38

Product Categories

TRC

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

N-Carbamoyl Atomoxetine

Molecular Formula

C18H22N2O2

Molecular Weight

298.38

SMILES

CC(=O)OCC1[C@H](OC(C)=O)C(OC(C)=O)C(OC(C)=O)[C@@H](O1)O[C@@H]2C(OC(C)=O)C(OC(C)=O)[C@@H](OC2COC(C)=O)O[C@@H]3C(OC(C)=O)C(OC(C)=O)[C@@H](OC3COC(C)=O)O[C@@H]4C(OC(C)=O)C(OC(C)=O)[C@@H](OC4COC(C)=O)O[C@@H]5C(OC(C)=O)C(OC(C)=O)[C@H](Oc6cc7c(cc6)C(C)=CC(=O)O7)OC5COC(C)=O

InChI

InChI=1S/C72H90O44/c1-27-20-52(89)107-46-21-44(18-19-45(27)46)106-68-63(101-39(13)84)59(97-35(9)80)54(48(108-68)23-91-29(3)74)113-70-65(103-41(15)86)61(99-37(11)82)56(50(110-70)25-93-31(5)76)115-72-67(105-43(17)88)62(100-38(12)83)57(51(112-72)26-94-32(6)77)116-71-66(104-42(16)87)60(98-36(10)81)55(49(111-71)24-92-30(4)75)114-69-64(102-40(14)85)58(96-34(8)79)53(95-33(7)78)47(109-69)22-90-28(2)73/h18-21,47-51,53-72H,22-26H2,1-17H3/t47?,48?,49?,50?,51?,53-,54-,55-,56-,57-,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68+,69-,70-,71-,72-/m0/s1

IUPAC

[(3S,6S)-4,5-diacetyloxy-6-[(3S,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(3S,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxyoxan-3-yl]oxy-3-[(2S,5S)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methyl acetate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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