BGC > Product Search > Dota-[tyr3]-octreotide acid | 177943-89-4

Molecular Formula: C65H92N14O19S2
Molecular Weight: 1437.65
HS Code: 29309090

Description :
DOTA-TATE, DOTATATE or DOTA-octreotate is a substance which, when bound to various radionuclides, has been tested for the treatment and diagnosis of certain types of cancer, mainly neuroendocrine tumours.

• Molecular Weight :1435.63
• Boiling Point :1732.9±65.0°C at 760 mmHg
• Purity :98%

Molecular Formula :
C65H90N14O19S2
Canonical SMILES :
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(C(C)O)C(=O)O)O
InChI :
InChI=1S/C65H90N14O19S2.C2H4O2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;1-2(3)4/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);1H3,(H,3,4)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1
InChIKey :
MGIRFLMPSDEBOD-UZOALHFESA-N
Appearance :
White powder
Storage : Store at -20°C
Synonyms :
DOTATATE; DOTA-(Tyr3,Thr8)-Octreotide; DOTA-[Tyr3] Octreotide Acid (Octreotate); 4,7,10-Tricarboxymethyl-1,4,7,10-tetraaza-cyclododecan-1-yl-acetyl-D-Phe-Cys-Tyr-D-Trp-Lys-Thr-Cys-Thr-OH acetate salt (Disulfide bond)

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