DESOMORPHINE SULFATE DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C17H21NO2.2H2O.H2O4S
Molecular Weight	676.817
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DESOMORPHINE SULFATE DIHYDRATE

Structure Search

SMILES

O.O.OS(O)(=O)=O.[H][C@@]12CCC[C@@]3([H])[C@@]4([H])CC5=CC=C(O)C(O1)=C5[C@@]23CCN4C.[H][C@@]67CCC[C@@]8([H])[C@@]9([H])CC%10=CC=C(O)C(O6)=C%10[C@@]78CCN9C

InChI

InChIKey=HKQJPWCZBYXBCI-YOFKANQSSA-N

InChI=1S/2C17H21NO2.H2O4S.2H2O/c2*1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18;1-5(2,3)4;;/h2*5-6,11-12,14,19H,2-4,7-9H2,1H3;(H2,1,2,3,4);2*1H2/t2*11-,12+,14-,17+;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula	C17H21NO2
Molecular Weight	271.3541
Charge	0
Count

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

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	H2O4S
Molecular Weight	98.078
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 `Sat Dec 16 08:50:03 UTC 2023` Edited by `admin` on `Sat Dec 16 08:50:03 UTC 2023`
Record UNII	RT9KC2C9MY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESOMORPHINE SULFATE DIHYDRATE

Common Name

English

MORPHINAN-3-OL, 4,5-EPOXY-17-METHYL-, (5.ALPHA.)-, SULFATE (2:1) (SALT), DIHYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

RT9KC2C9MY

Created by admin on Sat Dec 16 08:50:03 UTC 2023 , Edited by admin on Sat Dec 16 08:50:03 UTC 2023

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CAS

6078-37-1

Created by admin on Sat Dec 16 08:50:03 UTC 2023 , Edited by admin on Sat Dec 16 08:50:03 UTC 2023

PRIMARY

PUBCHEM

162368361

Created by admin on Sat Dec 16 08:50:03 UTC 2023 , Edited by admin on Sat Dec 16 08:50:03 UTC 2023

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Related Record Type Details


					7OP86J5E33

DESOMORPHINE

PARENT -> SALT/SOLVATE

Comments:

APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)

Amount: