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

Details

Stereochemistry UNKNOWN
Molecular Formula C44H78I10NO8P
Molecular Weight 2049.1105
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JOLETHIN

SMILES

CCCCCC(I)C(I)CC(I)C(I)CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(I)C(I)CC(I)C(I)CC(I)C(C)I

InChI

InChIKey=DXTNHIMTUBDPTM-UHFFFAOYSA-N
InChI=1S/C44H78I10NO8P/c1-6-7-15-20-34(46)38(50)28-39(51)35(47)22-17-12-10-14-18-23-43(56)60-30-33(31-62-64(58,59)61-26-25-55(3,4)5)63-44(57)24-19-13-9-8-11-16-21-36(48)40(52)29-42(54)41(53)27-37(49)32(2)45/h32-42H,6-31H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C44H78I10NO8P
Molecular Weight 2049.1105
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:51:33 GMT 2023
Edited
by admin
on Sat Dec 16 09:51:33 GMT 2023
Record UNII
UX71ZI971X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JOLETHIN
Common Name English
3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM, 7-((10,11,13,14,16,17-HEXAIODO-1-OXOOCTADECYL)OXY)-4-HYDROXY-18,19,21,22-TETRAIODO-N,N,N-TRIMETHYL-10-OXO-, INNER SALT, 4-OXIDE
Systematic Name English
Iodolecithin
Common Name English
Iodolecithin [WHO-DD]
Common Name English
Code System Code Type Description
CAS
34957-08-9
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
PUBCHEM
161844
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
SMS_ID
100000077360
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID00956417
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
EVMPD
SUB72972
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY
FDA UNII
UX71ZI971X
Created by admin on Sat Dec 16 09:51:33 GMT 2023 , Edited by admin on Sat Dec 16 09:51:33 GMT 2023
PRIMARY