U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H40N2O6
Molecular Weight 596.7126
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-BISCODEINE

SMILES

[H][C@@]12OC3=C(OC)C(=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@]5([H])C=C[C@@H]2O)C6=CC7=C8C(O[C@@]9([H])[C@@H](O)C=C[C@@]%10([H])[C@@]([H])(C7)N(C)CC[C@]89%10)=C6OC

InChI

InChIKey=OOMWWUFQMYGNDH-SXWORITFSA-N
InChI=1S/C36H40N2O6/c1-37-11-9-35-21-5-7-25(39)33(35)43-31-27(35)17(15-23(21)37)13-19(29(31)41-3)20-14-18-16-24-22-6-8-26(40)34-36(22,10-12-38(24)2)28(18)32(44-34)30(20)42-4/h5-8,13-14,21-26,33-34,39-40H,9-12,15-16H2,1-4H3/t21-,22-,23+,24+,25-,26-,33-,34-,35-,36-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2,2'-BISCODEINE
Common Name English
CODEINE DIMER
Common Name English
CODEINE PHOSPHATE HEMIHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
O3,O3'-DIMETHYLPSEUDOMORPHINE
Common Name English
CODEINE MONOHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
4,5.ALPHA.:4',5'.ALPHA.-DIEPOXY-3,3'-DIMETHOXY-17,17'-DIMETHYL-7,7',8,8'-TETRADEHYDRO-2,2'-BIMORPHINAN-6.ALPHA.,6'.ALPHA.-DIOL
Systematic Name English
(2,2'-BIMORPHINAN)-6,6'-DIOL, 7,7',8,8'-TETRADEHYDRO-4,5:4',5'-DIEPOXY-3,3'-DIMETHOXY-17,17'-DIMETHYL-, (5.ALPHA.,6.ALPHA.)-(5'.ALPHA.,6'.ALPHA.)-
Systematic Name English
CODEINE PHOSPHATE SESQUIHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
121395-47-9
Created by admin on Sat Dec 16 15:33:33 GMT 2023 , Edited by admin on Sat Dec 16 15:33:33 GMT 2023
PRIMARY
FDA UNII
9B0ATL3Q9A
Created by admin on Sat Dec 16 15:33:33 GMT 2023 , Edited by admin on Sat Dec 16 15:33:33 GMT 2023
PRIMARY
PUBCHEM
21679515
Created by admin on Sat Dec 16 15:33:33 GMT 2023 , Edited by admin on Sat Dec 16 15:33:33 GMT 2023
PRIMARY