DESALLYL DEACETYL ROCURONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H46N2O3
Molecular Weight	446.6657
Optical Activity	( + )
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DESALLYL DEACETYL ROCURONIUM

Structure Search

SMILES

[H][C@@]12C[C@@H]([C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)[C@H](C[C@]34C)N5CCOCC5)N6CCCC6

InChI

InChIKey=YKHDYPFPUAWBIW-QJRNWJQSSA-N

InChI=1S/C27H46N2O3/c1-26-8-7-20-19(21(26)16-22(25(26)31)28-9-3-4-10-28)6-5-18-15-24(30)23(17-27(18,20)2)29-11-13-32-14-12-29/h18-25,30-31H,3-17H2,1-2H3/t18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H46N2O3
Molecular Weight	446.6657
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:21:16 GMT 2023` Edited by `admin` on `Sat Dec 16 18:21:16 GMT 2023`
Record UNII	UX6KSG6C3A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESALLYL DEACETYL ROCURONIUM

Common Name

English

ROCURONIUM BROMIDE IMPURITY G [EP IMPURITY]

Common Name

English

ROCURONIUM RELATED COMPOUND G [USP IMPURITY]

Common Name

English

2-(MORPHOLIN-4-YL)-16-(PYRROLIDIN-1-YL)-5-ANDROSTANE-3,17-DIOL

Systematic Name

English

ANDROSTANE-3,17-DIOL, 2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)-, (2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-

Systematic Name

English

2.BETA.-(MORPHOLIN-4-YL)-16.BETA.-(PYRROLIDIN-1-YL)-5.ALPHA.-ANDROSTAN-3.ALPHA.,17.BETA.-DIOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001166831

Created by admin on Sat Dec 16 18:21:17 GMT 2023 , Edited by admin on Sat Dec 16 18:21:17 GMT 2023

PRIMARY

FDA UNII

UX6KSG6C3A

Created by admin on Sat Dec 16 18:21:17 GMT 2023 , Edited by admin on Sat Dec 16 18:21:17 GMT 2023

PRIMARY

CAS

119302-20-4

Created by admin on Sat Dec 16 18:21:17 GMT 2023 , Edited by admin on Sat Dec 16 18:21:17 GMT 2023

PRIMARY

PUBCHEM

16063873

Created by admin on Sat Dec 16 18:21:17 GMT 2023 , Edited by admin on Sat Dec 16 18:21:17 GMT 2023

PRIMARY

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					I65MW4OFHZ

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