2,2'-BISNALTREXONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H44N2O8
Molecular Weight	680.786
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CCC2=O)=CC(=C3O)C7=C(O)C8=C9C(C[C@H]%10N(CC%11CC%11)CC[C@@]9%12[C@@]([H])(O8)C(=O)CC[C@@]%10%12O)=C7

InChI

InChIKey=NGSAYZAPVYNVHK-YAUKWVCOSA-N

InChI=1S/C40H44N2O8/c43-25-5-7-39(47)27-15-21-13-23(31(45)33-29(21)37(39,35(25)49-33)9-11-41(27)17-19-1-2-19)24-14-22-16-28-40(48)8-6-26(44)36-38(40,30(22)34(50-36)32(24)46)10-12-42(28)18-20-3-4-20/h13-14,19-20,27-28,35-36,45-48H,1-12,15-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

2,2'-BISNALTREXONE

Common Name

English

(2,2'-BIMORPHINAN)-6,6'-DIONE, 17,17'-BIS(CYCLOPROPYLMETHYL)-4,5:4',5'-DIEPOXY-3,3',14,14'-TETRAHYDROXY-, (5.ALPHA.)-(5'.ALPHA.)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50675702

Created by admin on Sat Dec 16 19:11:50 GMT 2023 , Edited by admin on Sat Dec 16 19:11:50 GMT 2023

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PUBCHEM

90475041

Created by admin on Sat Dec 16 19:11:50 GMT 2023 , Edited by admin on Sat Dec 16 19:11:50 GMT 2023

PRIMARY

FDA UNII

TFS6E9DD4N

Created by admin on Sat Dec 16 19:11:50 GMT 2023 , Edited by admin on Sat Dec 16 19:11:50 GMT 2023

PRIMARY

CAS

607732-61-6

Created by admin on Sat Dec 16 19:11:50 GMT 2023 , Edited by admin on Sat Dec 16 19:11:50 GMT 2023

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SUBSTANCE RECORD


					TFS6E9DD4N

2,2'-BISNALTREXONE