THEBAINE TARTRATE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H21NO3.C4H6O6.H2O
Molecular Weight	479.4771
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THEBAINE TARTRATE MONOHYDRATE

Structure Search

SMILES

O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)C5=CC=C2OC

InChI

InChIKey=XJMYEQRYIHVZHB-XCSWUZEPSA-N

InChI=1S/C19H21NO3.C4H6O6.H2O/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;5-1(3(7)8)2(6)4(9)10;/h4-7,13,18H,8-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10);1H2/t13-,18+,19+;1-,2-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C19H21NO3
Molecular Weight	311.3749
Charge	0
Count

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

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:23 UTC 2023` Edited by `admin` on `Sat Dec 16 10:41:23 UTC 2023`
Record UNII	C3532277BG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEBAINE TARTRATE MONOHYDRATE

Common Name

English

MORPHINAN, 6,7,8,14-TETRAHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5.ALPHA.)-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (1:1), MONOHYDRATE

Common Name

English

MORPHINAN, 6,7,8,14-TETRAHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5.ALPHA.)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1), MONOHYDRATE

Systematic Name

English

THEBAINE BITARTRATE MONOHYDRATE

Common Name

English

Code System Code Type Description

PUBCHEM

92135650

Created by admin on Sat Dec 16 10:41:24 UTC 2023 , Edited by admin on Sat Dec 16 10:41:24 UTC 2023

PRIMARY

FDA UNII

C3532277BG

Created by admin on Sat Dec 16 10:41:24 UTC 2023 , Edited by admin on Sat Dec 16 10:41:24 UTC 2023

PRIMARY

CAS

5967-75-9

Created by admin on Sat Dec 16 10:41:24 UTC 2023 , Edited by admin on Sat Dec 16 10:41:24 UTC 2023

PRIMARY

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