XORPHANOL MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H31NO.CH4O3S
Molecular Weight	433.604
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.[H][C@@]12[C@@H](C)CC(=C)C[C@@]13CCN(CC4CCC4)[C@@H]2CC5=CC=C(O)C=C35

InChI

InChIKey=VRWTWCLVCNQJGM-ZBWZZBALSA-N

InChI=1S/C23H31NO.CH4O3S/c1-15-10-16(2)22-21-11-18-6-7-19(25)12-20(18)23(22,13-15)8-9-24(21)14-17-4-3-5-17;1-5(2,3)4/h6-7,12,16-17,21-22,25H,1,3-5,8-11,13-14H2,2H3;1H3,(H,2,3,4)/t16-,21+,22-,23+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H31NO
Molecular Weight	337.4983
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:55 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:55 UTC 2023`
Record UNII	A88BIS7IBB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XORPHANOL MESYLATE

Official Name

English

XORPHANOL MESYLATE [USAN]

Common Name

English

TR-5379M

Code

English

17-(Cyclobutylmethyl)-8β-methyl-6-methylenemorphinan-3-ol methanesulfonate (salt)

Common Name

English

XORPHANOL MESILATE

Common Name

English

MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-8-METHYL-6-METHYLENE-, (8.BETA.)-, METHANESULPHONATE (SALT)

Common Name

English

MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-8-METHYL-6-METHYLENE-, (8.BETA.)-, METHANESULFONATE (SALT)

Common Name

English

17-(CYCLOBUTYLMETHYL)-8.BETA.-METHYL-6-METHYLENEMORPHINAN-3-OL METHANESULPHONATE (SALT)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241