U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H56N4O9.H2O4S
Molecular Weight 907.037
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VINEPIDINE SULFATE

SMILES

OS(O)(=O)=O.[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@]7([H])C[C@H](CC)CN(C7)CCC8=C6NC9=CC=CC=C89)C(=O)OC)N(C=O)[C@@]4([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC

InChI

InChIKey=BCXOZISMDZTYHW-IFQBWSDRSA-N
InChI=1S/C46H56N4O9.H2O4S/c1-7-28-20-29-23-45(41(53)57-5,37-31(14-18-48(24-28)25-29)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)56-4)50(26-51)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(59-27(3)52)46(39,55)42(54)58-6;1-5(2,3)4/h9-13,15,21-22,26,28-29,38-40,47,55H,7-8,14,16-20,23-25H2,1-6H3;(H2,1,2,3,4)/t28-,29-,38-,39+,40+,43+,44+,45-,46-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C46H56N4O9
Molecular Weight 808.9582
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:01:29 GMT 2023
Edited
by admin
on Fri Dec 15 17:01:29 GMT 2023
Record UNII
LS5489G27S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VINEPIDINE SULFATE
USAN  
USAN  
Official Name English
VINEPIDINE SULPHATE
Common Name English
LY 119863
Code English
(4'S)-4'-DEOXYLEUROCRISTINE SULPHATE (1:1)
Common Name English
LY-119863
Code English
(4'S)-4'-DEOXYLEUROCRISTINE SULFATE (1:1)
Common Name English
VINEPIDINE SULFATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C932
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
NCI_THESAURUS C67422
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
Code System Code Type Description
FDA UNII
LS5489G27S
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
PRIMARY
NCI_THESAURUS
C152882
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
PRIMARY
PUBCHEM
23725066
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID101003197
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110748
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
PRIMARY
USAN
U-25
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
PRIMARY
CAS
83200-11-7
Created by admin on Fri Dec 15 17:01:29 GMT 2023 , Edited by admin on Fri Dec 15 17:01:29 GMT 2023
PRIMARY
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ACTIVE MOIETY