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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H47NO8
Molecular Weight 537.6854
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SABADINE

SMILES

[H][C@]12C[C@@]3(O)[C@]4([H])CN5C[C@@H](C)CC[C@@]5([H])[C@@](C)(O)[C@@]4(O)[C@@H](O)C[C@@]3(O)[C@]1([H])CC[C@]6([H])[C@H](O)[C@H](CC[C@]26C)OC(C)=O

InChI

InChIKey=IJZIXCZIZHENJV-ONCBQHFTSA-N
InChI=1S/C29H47NO8/c1-15-5-8-22-26(4,34)29(37)21(14-30(22)13-15)28(36)11-19-17(27(28,35)12-23(29)32)6-7-18-24(33)20(38-16(2)31)9-10-25(18,19)3/h15,17-24,32-37H,5-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H47NO8
Molecular Weight 537.6854
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:46:11 GMT 2023
Edited
by admin
on Sat Dec 16 08:46:11 GMT 2023
Record UNII
4374U9IX99
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SABADINE
MI  
Common Name English
SABATINE
Common Name English
CEVANE-3,4,12,14,16,17,20-HEPTOL, 3-ACETATE, (3.BETA.,4.ALPHA.,16.BETA.)-
Systematic Name English
SABADINE [MI]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
204-714-5
Created by admin on Sat Dec 16 08:46:11 GMT 2023 , Edited by admin on Sat Dec 16 08:46:11 GMT 2023
PRIMARY
PUBCHEM
92744
Created by admin on Sat Dec 16 08:46:11 GMT 2023 , Edited by admin on Sat Dec 16 08:46:11 GMT 2023
PRIMARY
FDA UNII
4374U9IX99
Created by admin on Sat Dec 16 08:46:11 GMT 2023 , Edited by admin on Sat Dec 16 08:46:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID701030544
Created by admin on Sat Dec 16 08:46:11 GMT 2023 , Edited by admin on Sat Dec 16 08:46:11 GMT 2023
PRIMARY
CAS
124-80-1
Created by admin on Sat Dec 16 08:46:11 GMT 2023 , Edited by admin on Sat Dec 16 08:46:11 GMT 2023
PRIMARY
MERCK INDEX
m454
Created by admin on Sat Dec 16 08:46:11 GMT 2023 , Edited by admin on Sat Dec 16 08:46:11 GMT 2023
PRIMARY Merck Index