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TTD Drug ID: DAP000541

Drug Information
NameLepirudin
SynonymsAventis Brand Lepirudin; LS-187612; 1-Leu-2-thr-63-desulfohirudin; Hirudin (Hirudo medicinalis isoform HV1), 1-L-leucine-2-L-threonine-63-desulfo-; C083544; Lepirudin recombinant; LS-186968; Aventis Pharma Brand of Lepirudin; Aventis Behring Brand of Lepirudin; Hbw 023; 1-L-Leucine-2-L-threonine-63-desulfohirudin (Hirudo medicinalis isoform HV1); Lepirudin; Refludin; Refludan; Pharmion Brand of Lepirudin; Berlex Brand of Lepirudin; Schering Brand of Lepirudin; 138068-37-8; UNII-Y43GF64R34; Hoechst Brand of Lepirudin; Hbw-023
IndicationThrombocytopenia
[ICD9: 287.3, 287.4, 287.5   ICD10: D69.6, P61.0]
Approved    [1]
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C287H446N80O111S6/c1-24-132(17)225(359-272(462)187(122-483)350
-242(432)147(41-30-33-81-289)322-258(448)170(95-197(297)384)317-2
06(393)108-303-233(423)148(54-67-192(292)379)313-202(389)107-310-
240(430)183(118-479)355-278(468)223(130(13)14)357-265(455)174(99-
201(301)388)342-266(456)180(115-369)319-208(395)110-304-235(425)1
50(60-73-212(400)401)323-269(459)184(119-480)352-254(444)165(90-1
29(11)12)335-270(460)185(120-481)353-253(443)164(89-128(9)10)334-
260(450)172(97-199(299)386)340-244(434)151(55-68-193(293)380)315-
204(391)106-309-239(429)179(114-368)348-249(439)158(65-78-217(410
)411)330-281(471)229(136(21)374)363-273(463)188(123-484)354-263(4
53)178(103-222(420)421)347-283(473)230(137(22)375)362-264(454)168
(93-141-48-52-144(378)53-49-141)346-282(472)228(135(20)373)361-23
2(422)145(291)86-125(3)4)280(470)345-162(87-126(5)6)236(426)306-1
11-209(396)320-181(116-370)267(457)344-176(101-220(416)417)238(42
8)307-105-203(390)316-152(61-74-213(402)403)243(433)321-146(40-29
-32-80-288)241(431)339-171(96-198(298)385)259(449)326-153(56-69-1
94(294)381)250(440)351-186(121-482)271(461)358-224(131(15)16)279(
469)364-227(134(19)372)277(467)311-112-205(392)314-149(59-72-211(
398)399)234(424)305-113-210(397)356-231(138(23)376)286(476)367-85
-37-45-191(367)276(466)331-160(42-31-34-82-290)284(474)365-83-35-
43-189(365)274(464)328-154(57-70-195(295)382)248(438)349-182(117-
371)268(458)338-169(94-142-104-302-124-312-142)257(447)341-173(98
-200(300)387)261(451)343-175(100-219(414)415)237(427)308-109-207(
394)318-177(102-221(418)419)262(452)337-166(91-139-38-27-26-28-39
-139)255(445)327-155(62-75-214(404)405)245(435)325-159(66-79-218(
412)413)251(441)360-226(133(18)25-2)285(475)366-84-36-44-190(366)
275(465)329-157(64-77-216(408)409)246(436)324-156(63-76-215(406)4
07)247(437)336-167(92-140-46-50-143(377)51-47-140)256(446)333-163
(88-127(7)8)252(442)332-161(287(477)478)58-71-196(296)383/h26-28,
38-39,46-53,104,124-138,145-191,223-231,368-378,479-484H,24-25,29
-37,40-45,54-103,105-123,288-291H2,1-23H3,(H2,292,379)(H2,293,380
)(H2,294,381)(H2,295,382)(H2,296,383)(H2,297,384)(H2,298,385)(H2,
299,386)(H2,300,387)(H2,301,388)(H,302,312)(H,303,423)(H,304,425)
(H,305,424)(H,306,426)(H,307,428)(H,308,427)(H,309,429)(H,310,430
)(H,311,467)(H,313,389)(H,314,392)(H,315,391)(H,316,390)(H,317,39
3)(H,318,394)(H,319,395)(H,320,396)(H,321,433)(H,322,448)(H,323,4
59)(H,324,436)(H,325,435)(H,326,449)(H,327,445)(H,328,464)(H,329,
465)(H,330,471)(H,331,466)(H,332,442)(H,333,446)(H,334,450)(H,335
,460)(H,336,437)(H,337,452)(H,338,458)(H,339,431)(H,340,434)(H,34
1,447)(H,342,456)(H,343,451)(H,344,457)(H,345,470)(H,346,472)(H,3
47,473)(H,348,439)(H,349,438)(H,350,432)(H,351,440)(H,352,444)(H,
353,443)(H,354,453)(H,355,468)(H,356,397)(H,357,455)(H,358,461)(H
,359,462)(H,360,441)(H,361,422)(H,362,454)(H,363,463)(H,364,469)(
H,398,399)(H,400,401)(H,402,403)(H,404,405)(H,406,407)(H,408,409)
(H,410,411)(H,412,413)(H,414,415)(H,416,417)(H,418,419)(H,420,421
)(H,477,478)/t132-,133-,134+,135+,136+,137+,138+,145-,146-,147-,1
48-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,1
61-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,1
74-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,1
87-,188-,189-,190-,191-,223-,224-,225-,226-,227-,228-,229-,230-,2
31-/m0/s1
InChIKeyOTQCKZUSUGYWBD-BRHMIFOHSA-N
Canonical SMILESCCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC
(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=
O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C
(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC
(CC3=CN=CN3)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)
NC(CC4=CC=CC=C4)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)
N5CCCC5C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NC
(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(CC(=O)
N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CS)NC(=O)C(C(C)C)NC(=O)C(CC(=O)
N)NC(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C
(CS)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CO)NC
(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC
(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)N    
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]
(CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC
(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@
@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H]
(C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC
(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)N)C(=O)
N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C
(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=
O)N5CCC[C@H]5C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]
(CC6=CC=C(C=C6)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)
[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=
O)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)
[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)
NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=
O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC
(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=
CC=C(C=C7)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N
Therapeutic ClassAntithrombotic Agents
CAS NumberCAS 120993-53-5
FormulaC287H440N80O110S6
PubChem Compound IDCID 16132441.
PubChem Substance IDSID 3889546.
SuperDrug ATC IDB01AE02
B01AE02
TargetThrombinInhibitor[2]
Ref 1Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. To Reference
Ref 2Recombinant hirudin (lepirudin) as anticoagulant in intensive care patients treated with continuous hemodialysis. Kidney Int Suppl. 1999 Nov;(72):S46-50. To Reference



 

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