Binaltorphimine

Binaltorphimine
Systematic (IUPAC) name
	(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-22-methyl-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,29-octaene-2,7,17,27-tetrol
Identifiers
CAS Number	105618-27-7
ATC code	None
PubChem	CID: 5484197
ChemSpider	4588407
Chemical data
Formula	C41H45N3O6
Molecular mass	675.813 g/mol
	SMILES O[C@@]57Cc1c%11c(n(c1[C@@H]6Oc2c4c(ccc2O)C[C@H]7N(CC3CC3)CC[C@@]456)C)[C@@H]%12Oc8c9c(ccc8O)C[C@H]%10N(CC[C@]9%12[C@@]%10(O)C%11)CC%13CC%13 ;
	InChI InChI=1S/C41H45N3O6/c1-42-32-24(16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,36(32)49-34)10-12-43(28)18-20-2-3-20)25-17-41(48)29-15-23-7-9-27(46)35-31(23)39(41,37(50-35)33(25)42)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,45-48H,2-5,10-19H2,1H3/t28-,29+,36-,37-,38-,39-,40+,41+/m0/s1 ; Key:DKIVQMBUHVYDFC-KMALJSJFSA-N ;

Binaltorphimine (BNI) is a selective antagonist of the κ-opioid receptor (KOR).^[1] BNI and norbinaltorphimine (nor-BNI) were the first highly selective KOR antagonists to be discovered.^[1]

References

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