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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27N3O4
Molecular Weight 445.5103
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0
Stereo Comments Assumed E-isomer

SHOW SMILES / InChI
Structure of NALOXONE BENZOYLHYDRAZONE

SMILES

[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC=C)[C@H](C4)[C@]5(O)CC\C2=N/NC(=O)C6=CC=CC=C6

InChI

InChIKey=AKXCFAYOTIEFOH-XTNAHFASSA-N
InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20-,23+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H27N3O4
Molecular Weight 445.5103
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:51 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:51 GMT 2023
Record UNII
0W13ZI072Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NALOXONE BENZOYLHYDRAZONE
Common Name English
BENZOIC ACID, 2-((5.ALPHA.)-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPENYL)MORPHINAN-6-YLIDENE)HYDRAZIDE
Common Name English
Code System Code Type Description
FDA UNII
0W13ZI072Q
Created by admin on Sat Dec 16 11:18:51 GMT 2023 , Edited by admin on Sat Dec 16 11:18:51 GMT 2023
PRIMARY
PUBCHEM
9601084
Created by admin on Sat Dec 16 11:18:51 GMT 2023 , Edited by admin on Sat Dec 16 11:18:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID401017618
Created by admin on Sat Dec 16 11:18:51 GMT 2023 , Edited by admin on Sat Dec 16 11:18:51 GMT 2023
PRIMARY
CAS
1217452-09-9
Created by admin on Sat Dec 16 11:18:51 GMT 2023 , Edited by admin on Sat Dec 16 11:18:51 GMT 2023
ALTERNATIVE
CAS
119630-94-3
Created by admin on Sat Dec 16 11:18:51 GMT 2023 , Edited by admin on Sat Dec 16 11:18:51 GMT 2023
PRIMARY
Related Record Type Details
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