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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H48N2O4
Molecular Weight 488.7024
Optical Activity ( + )
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESALLYL ROCURONIUM

SMILES

[H][C@@]12C[C@@H]([C@H](OC(C)=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=YBZSVMDKHBRYNB-RIQJFVKASA-N
InChI=1S/C29H48N2O4/c1-19(32)35-27-24(30-10-4-5-11-30)17-23-21-7-6-20-16-26(33)25(31-12-14-34-15-13-31)18-29(20,3)22(21)8-9-28(23,27)2/h20-27,33H,4-18H2,1-3H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DESALLYL ROCURONIUM
Common Name English
ANDROSTANE-3,17-DIOL, 2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)-, 17-ACETATE, (2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-
Systematic Name English
3.ALPHA.-HYDROXY-2.BETA.-(MORPHOLIN-4-YL)-16.BETA.-(PYRROLIDIN-1-YL)-5.ALPHA.-ANDROSTAN-17.BETA.-YL ACETATE
Systematic Name English
ROCURONIUM BROMIDE IMPURITY A [EP IMPURITY]
Common Name English
ROCURONIUM RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
16064933
Created by admin on Sat Dec 16 11:08:29 GMT 2023 , Edited by admin on Sat Dec 16 11:08:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID601035727
Created by admin on Sat Dec 16 11:08:29 GMT 2023 , Edited by admin on Sat Dec 16 11:08:29 GMT 2023
PRIMARY
FDA UNII
TA73HT9XMF
Created by admin on Sat Dec 16 11:08:29 GMT 2023 , Edited by admin on Sat Dec 16 11:08:29 GMT 2023
PRIMARY
CAS
119302-24-8
Created by admin on Sat Dec 16 11:08:29 GMT 2023 , Edited by admin on Sat Dec 16 11:08:29 GMT 2023
PRIMARY