Drug Information

General Information
Drug ID
DR01163
Drug Name
Octreotide
Synonyms
Octreotide; Octreotide acetate; Octreotidum; Octreotida; 79517-01-4; Sandostatin; UNII-RWM8CCW8GP; SMS 201-995; Longastatin; RWM8CCW8GP; SMS-201-995; CHEMBL1680; Octreotidum [Latin]; MFCD00871400; Octreotida [Spanish]; Octrotide; Octreotide [USAN:INN:BAN]; Octreotide-LAR; AC1L9M4X; Octreotide, >=98% (HPLC); SCHEMBL10044649; DEQANNDTNATYII-OULOTJBUSA-N; HMS2090C09; D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide
Drug Type
Small molecular drug
Indication Maintenance of normal sinus rhythm [ICD11:BC81.3] Approved [1]
Therapeutic Class
Anabolic Agents
Structure
3D MOL 2D MOL
Formula
C49H66N10O10S2
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=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O
InChI
InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
InChIKey
DEQANNDTNATYII-OULOTJBUSA-N
CAS Number
CAS 83150-76-9
Pharmaceutical Properties Molecular Weight 1019.2 Topological Polar Surface Area 383
Heavy Atom Count 71 Rotatable Bond Count 17
Hydrogen Bond Donor Count 13 Hydrogen Bond Acceptor Count 14
XLogP
1
PubChem CID
448601
PubChem SID
104061285 ,104591919 ,11430106 ,125434068 ,126670761 ,127723791 ,134337693 ,135652471 ,137240521 ,139157534 ,179293772 ,184545267 ,223682643 ,226973283 ,242084564 ,252218803 ,50065276 ,50992191 ,53788390 ,5480746 ,56200952 ,57402265 ,7847508 ,85209213 ,9514
TTD Drug ID
D02XIY
DT(s) Transporting This Drug MRP2 Transporter Info Multidrug resistance-associated protein 2 Substrate [2]
References
1 Octreotide was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 P-glycoprotein- and mrp2-mediated octreotide transport in renal proximal tubule. Br J Pharmacol. 2000 Jan;129(2):251-6.

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