
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 138068-37-8 |
| Catalog No. | 2A-9011151 |
| Chinese Name | 来匹卢定 |
| Synonyms | Lepirudin; 1-Leu-2-thr-63-desulfohirudin; Hbw 023; Hbw-023; Hirudin (Hirudo medicinalis isoform HV1), 1-L-leucine-2-L-threonine-63-desulfo- |
| Molecular Formula | C287H446N80O111S6 |
| Molecular Weight | 6979.486 |
| Purity | 90+ |
| Melting Point | 65 °C |
| Application | Lebirudin is a potent irreversible thrombin inhibitor. Hirudin is also a recombinant hirudin. Lebirudin has an anticoagulant effect on heparin-induced thrombocytopenia (HIT) [1]. |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)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(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |
| InChI | InChI=1S/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)317-206(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)150(60-73-212(400)401)323-269(459)184(119-480)352-254(444)165(90-129(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(453)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)361-232(422)145(291)86-125(3)4)280(470)345-162(87-126(5)6)236(426)306-111-209(396)320-181(116-370)267(457)344-176(101-220(416)417)238(428)307-105-203(390)316-152(61-74-213(402)403)243(433)321-146(40-29-32-80-288)241(431) |
| InChI Key | InChIKey=OTQCKZUSUGYWBD-BRHMIFOHSA-N |
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