NALOXONE BENZOYLHYDRAZONE

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 Search

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

Targets

Primary Target	Pharmacology	Potency
Kappa opioid receptor 108 Target ID: CHEMBL237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16402046 \| https://www.ncbi.nlm.nih.gov/pubmed/2553921	Agonist 2678	9.45 null [pEC50]
Mu opioid receptor 221 Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16402046 \| https://www.ncbi.nlm.nih.gov/pubmed/2553921	Partial Agonist 290	8.74 null [pEC50]
Delta opioid receptor 77 Target ID: CHEMBL236 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16402046	Partial Agonist 290	8.61 null [pEC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:18:51 UTC 2023` Edited by `admin` on `Sat Dec 16 11:18:51 UTC 2023`
Record UNII	0W13ZI072Q
Record Status	`Validated (UNII)`
Record Version

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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