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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H51N2O3.Br
Molecular Weight 567.642
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESACETYLROCURONIUM BROMIDE

SMILES

[Br-].[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)[N+]6(CC=C)CCCC6

InChI

InChIKey=KJLODZNGZVUFDC-DSBFZBMTSA-M
InChI=1S/C30H51N2O3.BrH/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34;/h4,21-28,33-34H,1,5-20H2,2-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C30H50N2O3
Molecular Weight 486.7296
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
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 11:08:29 UTC 2023
Edited
by admin
on Sat Dec 16 11:08:29 UTC 2023
Record UNII
1UGT518V8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESACETYLROCURONIUM BROMIDE
Common Name English
17-DESACETYLROCURONIUM BROMIDE
Common Name English
PYRROLIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-DIHYDROXY-2-(4-MORPHOLINYL)ANDROSTAN-16-YL)-1-(2-PROPENYL)-, BROMIDE
Systematic Name English
PYRROLIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-DIHYDROXY-2-(4-MORPHOLINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)-, BROMIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
182556
Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023
PRIMARY
FDA UNII
1UGT518V8L
Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID20922932
Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023
PRIMARY
CAS
119302-86-2
Created by admin on Sat Dec 16 11:08:29 UTC 2023 , Edited by admin on Sat Dec 16 11:08:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE