Binaltorphimine

Binaltorphimine
Clinical data
ATC code	None;
Identifiers
	IUPAC name (1S,2S,7S,8R,12S,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;
CAS Number	105618-27-7 ;
PubChem CID	5484197;
ChemSpider	24673307;
UNII	94L0JAS27S;
ChEMBL	ChEMBL610001;
CompTox Dashboard (EPA)	DTXSID90909634 ;
Chemical and physical data
Formula	C41H45N3O6
Molar mass	675.826 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN1C2=C(C[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)C8=C1[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1;
	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-/m1/s1; Key:DKIVQMBUHVYDFC-IWRYZOJTSA-N;

Binaltorphimine

Chemical compound

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]

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This article uses material from the Wikipedia article Binaltorphimine, and is written by contributors. Text is available under a CC BY-SA 4.0 International License; additional terms may apply. Images, videos and audio are available under their respective licenses.

[pmid2882399-1] [1]
Portoghese PS, Lipkowski AW, Takemori AE (March 1987). "Binaltorphimine and nor-binaltorphimine, potent and selective kappa-opioid receptor antagonists". Life Sci. 40 (13): 1287–92. doi:10.1016/0024-3205(87)90585-6. PMID 2882399.

[1]

Binaltorphimine

Binaltorphimine

See also

References

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Clinical data

ATC code	None
Identifiers
IUPAC name (1S,2S,7S,8R,12S,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-22-methyl-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.1^8,14.0^1,24.0^2,32.0^4,23.0^5,21.0^7,12.0^8,20.0^18,37.0^30,36]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,29-octaene-2,7,17,27-tetrol
CAS Number	105618-27-7^Y
PubChem CID	5484197
ChemSpider	24673307
UNII	94L0JAS27S
ChEMBL	ChEMBL610001
CompTox Dashboard (EPA)	DTXSID90909634
Chemical and physical data
Formula	C₄₁H₄₅N₃O₆
Molar mass	675.826 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN1C2=C(C[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)C8=C1[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1
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-/m1/s1 Key:DKIVQMBUHVYDFC-IWRYZOJTSA-N