Naloxonazine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H42N4O6
Molecular Weight	650.7633
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	2
Charge	0

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/N=C6\CC[C@@]7(O)[C@@]8([H])CC9=C%10C(O[C@]6([H])[C@@]7%10CCN8CC=C)=C(O)C=C9

InChI

InChIKey=AJPSBXJNFJCCBI-YOHUGVJRSA-N

InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H42N4O6
Molecular Weight	650.7633
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:55:09 GMT 2023` Edited by `admin` on `Sat Dec 16 12:55:09 GMT 2023`
Record UNII	BW5W4K4S7Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Naloxonazine

Common Name

English

Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, 2-[(5α)-4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)morphinan-6-ylidene]hydrazone

Systematic Name

English

NSC-612113

Code

English

Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, [(5α)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-ylidene]hydrazone, (5α)-

Systematic Name

English

(4aS,7E,7aS,12bS)-7-[(E)-[(4aS,7aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ylidene]hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-di

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001002934