THEBAINONE METHANOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21NO3.CH4O
Molecular Weight	331.4061
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO.[H][C@]12CC3=C(C(O)=C(OC)C=C3)[C@@]4(CCN1C)CC(=O)C=C[C@@]24[H]

InChI

InChIKey=LVIVJZSICNLZTO-KFIVTFPCSA-N

InChI=1S/C18H21NO3.CH4O/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18;1-2/h3-6,13-14,21H,7-10H2,1-2H3;2H,1H3/t13-,14+,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	CH4O
Molecular Weight	32.0419
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H21NO3
Molecular Weight	299.3642
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:02:29 GMT 2023` Edited by `admin` on `Sat Dec 16 10:02:29 GMT 2023`
Record UNII	W5VI00N0UV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEBAINONE METHANOLATE

Common Name

English

MORPHINAN-6-ONE, 7,8-DIDEHYDRO-4-HYDROXY-3-METHOXY-17-METHYL-, COMPD. WITH METHANOL (1:1)

Systematic Name

English

THEBAINONE METHANOLATE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

90479333

Created by admin on Sat Dec 16 10:02:29 GMT 2023 , Edited by admin on Sat Dec 16 10:02:29 GMT 2023

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MERCK INDEX

m10698

Created by admin on Sat Dec 16 10:02:29 GMT 2023 , Edited by admin on Sat Dec 16 10:02:29 GMT 2023

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Merck Index

FDA UNII

W5VI00N0UV

Created by admin on Sat Dec 16 10:02:29 GMT 2023 , Edited by admin on Sat Dec 16 10:02:29 GMT 2023

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CAS

5968-00-3

Created by admin on Sat Dec 16 10:02:29 GMT 2023 , Edited by admin on Sat Dec 16 10:02:29 GMT 2023

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