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AG00C6H2

396091-77-3 | Pasireotide (L-aspartate salt)

Chemical structure of Pasireotide (L-aspartate salt), CAS 396091-77-3
AG00C6H2
sdsSDS
sdsCOA

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CAS Number 396091-77-3
Catalog Number AG00C6H2(AGN-PC-0RK98E)
Chemical Name Pasireotide (L-aspartate salt)
IUPAC Name (2S)-2-aminobutanedioic acid;[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate
InChI InChI=1S/C58H66N10O9.C4H7NO4/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;5-2(4(8)9)1-3(6)7/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);2H,1,5H2,(H,6,7)(H,8,9)/t43-,46+,47+,48-,49+,50+,51+;2-/m10/s1
InChI Key XOMKXFJQWURETI-XZRPHVMWSA-N
MDL Number MFCD28167814
Molecular Formula C62H73N11O13
Molecular Weight 1180.3089
SMILES C(O)(=O)[C@H](CC(O)=O)N.C1(N[C@@H](CC2C=CC(OCC3=CC=CC=C3)=CC=2)C(N[C@@H](CC2=CC=CC=C2)C(N2C[C@H](OC(NCCN)=O)C[C@H]2C(N[C@@H](C2=CC=CC=C2)C(N[C@@H](C(N[C@H]1CCCCN)=O)CC1C2C=CC=CC=2NC=1)=O)=O)=O)=O)=O
Synonyms
Pasireotide (L-aspartate salt), Pasireotide L-aspartate, 396091-77-3, Pasireotide (for the salt), AKOS030526805, CS-3339, HY-79136, Pasireotide diaspartate, CS-O-02188,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited