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Merck
CN

900169

Oxytocin-(leucine-5,5,5-d3, glycine-2,2-d2) trifluoroacetate salt

≥98 atom % D, ≥95% (CP)

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About This Item

Empirical Formula (Hill Notation):
C45D5H62F3N12O14S2
Molecular Weight:
1126.24
UNSPSC Code:
12352209
PubChem Substance ID:
NACRES:
NA.13
Isotopic purity:
≥98 atom % D
Assay:
≥95% (CP)
Mass shift:
M+5
Form:
powder
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isotopic purity

≥98 atom % D

Quality Segment

assay

≥95% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable, protein expression: suitable

mass shift

M+5

shipped in

dry ice

storage temp.

−20°C

SMILES string

O=C([C@H](CSSCC(C(N1CCC[C@H]1C(N[C@H](CC(C)C([2H])([2H])[2H])C(NC([2H])([2H])C(N)=O)=O)=O)=O)NC([C@H](CC(N)=O)N2)=O)N)N[C@H](C(N[C@@]([C@H](CC)C)([H])C(N[C@@H](CCC(N)=O)C2=O)=O)=O)CC3=CC=C(O)C=C3.O=CC(F)(F)F

InChI

1S/C43H66N12O12S2.C2HF3O/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;3-2(4,5)1-6/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);1H/t22-,25-,26-,27+,28-,29-,30?,31-,35?;/m0./s1/i2D3,18D2;/t21?,22-,25-,26-,27+,28-,29-,30?,31-,35?;

InChI key

UDEADCFUWXEORZ-CBQPFPEMSA-N

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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