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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO5
Molecular Weight 373.4436
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-3-METHOXY-6.BETA.-NALTREXOL

SMILES

COc1c(cc2C[C@]3([H])[C@@]4(CC[C@]([H])([C@@]5([H])[C@]4(CCN3CC6CC6)c2c1O5)O)O)O

InChI

InChIKey=GWCHXDJGNDNHIQ-RERAUARKSA-N
InChI=1S/C21H27NO5/c1-26-17-14(24)8-12-9-15-21(25)5-4-13(23)19-20(21,16(12)18(17)27-19)6-7-22(15)10-11-2-3-11/h8,11,13,15,19,23-25H,2-7,9-10H2,1H3/t13-,15-,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H27NO5
Molecular Weight 373.4436
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:23:06 UTC 2021
Edited
by admin
on Sat Jun 26 12:23:06 UTC 2021
Record UNII
30798G941L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXY-3-METHOXY-6.BETA.-NALTREXOL
Common Name English
2-HYDROXY-3-O-METHYL-6.BETA.-NALTREXOL
Common Name English
MORPHINAN-2,6,14-TRIOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3-METHOXY-, (5.ALPHA.,6.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
30798G941L
Created by admin on Sat Jun 26 12:23:06 UTC 2021 , Edited by admin on Sat Jun 26 12:23:06 UTC 2021
PRIMARY
PUBCHEM
5492306
Created by admin on Sat Jun 26 12:23:06 UTC 2021 , Edited by admin on Sat Jun 26 12:23:06 UTC 2021
PRIMARY
CAS
57355-35-8
Created by admin on Sat Jun 26 12:23:06 UTC 2021 , Edited by admin on Sat Jun 26 12:23:06 UTC 2021
PRIMARY
EPA CompTox
57355-35-8
Created by admin on Sat Jun 26 12:23:06 UTC 2021 , Edited by admin on Sat Jun 26 12:23:06 UTC 2021
PRIMARY
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