3-ACETYL-17-DEACETYL ROCURONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H53N2O4
Molecular Weight	529.7742
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of 3-ACETYL-17-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](OC(C)=O)[C@H](C[C@]34C)N5CCOCC5)[N+]6(CC=C)CCCC6

InChI

InChIKey=VTDXVFMLLBDIRR-OOJCLDBCSA-N

InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(38-22(2)35)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)36/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-ACETYL-17-DEACETYL ROCURONIUM

Common Name

English

ROCURONIUM BROMIDE IMPURITY D [EP IMPURITY]

Common Name

English

1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3-(ACETYLOXY)-17-HYDROXY-2-(4-MORPHOLINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)PYRROLIDINIUM

Systematic Name

English

ROCURONIUM RELATED COMPOUND D [USP IMPURITY]

Common Name

English

PYRROLIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3-(ACETYLOXY)-17-HYDROXY-2-(4-MORPHOLINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

XLR2Y3W44G

Created by admin on Sat Dec 16 10:48:55 GMT 2023 , Edited by admin on Sat Dec 16 10:48:55 GMT 2023

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PUBCHEM

67898027

Created by admin on Sat Dec 16 10:48:55 GMT 2023 , Edited by admin on Sat Dec 16 10:48:55 GMT 2023

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CAS

942983-82-6

Created by admin on Sat Dec 16 10:48:55 GMT 2023 , Edited by admin on Sat Dec 16 10:48:55 GMT 2023

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SUBSTANCE RECORD


					XLR2Y3W44G

3-ACETYL-17-DEACETYL ROCURONIUM