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Key Documents

M157

Sigma-Aldrich

MEN-10,376

≥95% (HPLC), solid

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About This Item

Empirical Formula (Hill Notation):
C57H68N12O10
CAS Number:
Molecular Weight:
1081.22
MDL number:
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.32

Quality Level

Assay

≥95% (HPLC)

form

solid

color

white

storage temp.

−20°C

SMILES string

CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(N)CC(O)=O)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)NC(CCCCN)C(N)=O

InChI

1S/C57H68N12O10/c1-31(2)50(69-56(78)48(26-35-30-63-43-16-8-5-13-39(35)43)67-53(75)45(23-32-18-20-36(70)21-19-32)65-52(74)40(59)27-49(71)72)57(79)68-47(25-34-29-62-42-15-7-4-12-38(34)42)55(77)66-46(24-33-28-61-41-14-6-3-11-37(33)41)54(76)64-44(51(60)73)17-9-10-22-58/h3-8,11-16,18-21,28-31,40,44-48,50,61-63,70H,9-10,17,22-27,58-59H2,1-2H3,(H2,60,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,68,79)(H,69,78)(H,71,72)

InChI key

QQHOFZNACVKNHK-UHFFFAOYSA-N

Gene Information

human ... TACR2(6865)

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Amino Acid Sequence

Asp-Tyr-Trp-Val-Trp-Trp-Lys-NH2

Biochem/physiol Actions

Potent and selective NK-2 tachykinin receptor antagonist.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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