General Information of Drug (ID: DMWIVTF)

Drug Name
Technetium Tc-99m Apcitide
Synonyms Acutect
Indication
Disease Entry ICD 11 Status REF
Radioactive tracer N.A. Approved [1]
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C51H72N17NaO20S5Tc-
Canonical SMILES
CC(=O)NCSCC(C(=O)NCC(=O)NC(CSCNC(=O)C)C(=NCC(=NCC(=NC(C[S-])C(=O)N)[O-])[O-])[O-])NC(=O)CNC(=O)CNC(=O)C1CSCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC(=O)[O-])CSCCCN)CC2=CC=C(C=C2)O.[O-2].[Na+].[Tc+5]
InChI
1S/C51H77N17O19S5.Na.O.Tc/c1-26(69)60-24-91-21-33(46(82)56-12-37(72)54-14-39(74)64-32(18-88)45(53)81)66-42(77)17-58-47(83)34(22-92-25-61-27(2)70)65-40(75)15-55-38(73)13-57-49(85)36-20-90-23-43(78)63-30(10-28-4-6-29(71)7-5-28)50(86)67-35(19-89-9-3-8-52)48(84)59-16-41(76)62-31(11-44(79)80)51(87)68-36;;;/h4-7,30-36,71,88H,3,8-25,52H2,1-2H3,(H2,53,81)(H,54,72)(H,55,73)(H,56,82)(H,57,85)(H,58,83)(H,59,84)(H,60,69)(H,61,70)(H,62,76)(H,63,78)(H,64,74)(H,65,75)(H,66,77)(H,67,86)(H,68,87)(H,79,80);;;/q;+1;-2;+5/p-5/t30-,31+,32+,33+,34+,35+,36+;;;/m1.../s1/i;;;1+1
InChIKey
FKYRHOMOAIJZJC-YLXBGQBVSA-I
Cross-matching ID
PubChem CID
72941734
CAS Number
178959-14-3
TTD ID
D0ZS6R

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015