Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0D8XY
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| Former ID |
DNC005946
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| Drug Name |
ATOSIBAN
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| Synonyms |
Atosiban; Tractocile; 90779-69-4; Atosiban acetate; Antocin; UNII-081D12SI0Z; Rwj 22164; Orf-22164; RWJ-22164; CHEMBL382301; 1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin; dTVT; 081D12SI0Z; 1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin; 1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin; NCGC00165718-01; Atosibanum [INN-Latin]; ORF 22164; deTVT; Atosibanum; Antocin II; Atosiban [USAN:INN:BAN]; RWJ22164; 1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineox
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C43H67N11O12S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O
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| InChI |
1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
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| InChIKey |
VWXRQYYUEIYXCZ-OBIMUBPZSA-N
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| CAS Number |
CAS 90779-69-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7978736, 11056208, 12014192, 14938957, 24724390, 29217473, 39340742, 50111698, 57359320, 75441903, 93815072, 104063058, 114155046, 126591285, 135652002, 136156103, 137115019, 144207023, 152134062, 152344072, 160703997, 162179176, 162248049, 163831696, 163883126, 164826371, 187072129, 224705415, 226420804, 241175214, 249719018
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| ChEBI ID |
CHEBI:135899
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| ADReCS Drug ID | BADD_D00185 | |||
| SuperDrug ATC ID |
G02CX01
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Pyridobenzodiazepines: a novel class of orally active, vasopressin V2 receptor selective agonists. Bioorg Med Chem Lett. 2006 Feb 15;16(4):954-9. | |||
| REF 2 | The discovery of GSK221149A: a potent and selective oxytocin antagonist. Bioorg Med Chem Lett. 2008 Jan 1;18(1):90-4. | |||
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