BGC > Produktsuche > DOTA-(Tyr3)-Octreotide | 204318-14-9

Molecular Formula: C65H94N14O18S2
Molecular Weight: 1423.65

Description:
Edotreotide is a substance used in the treatment and diagnosis of certain types of cancer.

• Molecular Weight:1421.64
• Boiling Point:1723.7ºC at 760 mmHg
• Purity:98%

Molecular Formula:
C65H92N14O18S2
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(CO)C(C)O)O
InChI:
InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1
InChIKey:
RZHKDBRREKOZEW-AAXZNHDCSA-N
Storage: Store at -20°C
Synonyms:
DOTA-(Tyr3)-Octreotide; SMT-487; SMT 487; SMT487; DOTA-d-Phe1-Tyr3-octreotide; DOTA-TOC; DOTA0-Tyr3-octreotide; DOTATOC; [Tyr3]-octreotide; DOTA-TOC; DOTA-tyr(3)-octreotide; DOTATOC