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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H80NO4
Molecular Weight 663.0889
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 1

SHOW SMILES / InChI
Structure of DOTAP, (R)-

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](C[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=KWVJHCQQUFDPLU-KNEFWTSXSA-N
InChI=1S/C42H80NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,40H,6-19,24-39H2,1-5H3/q+1/b22-20-,23-21-/t40-/m1/s1

HIDE SMILES / InChI

Molecular Formula C42H80NO4
Molecular Weight 663.0889
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:05:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:05:17 GMT 2023
Record UNII
XER76TF9RN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOTAP, (R)-
Common Name English
(2R)-DOTAP
Common Name English
1-PROPANAMINIUM, N,N,N-TRIMETHYL-2,3-BIS(((9Z)-1-OXO-9-OCTADECEN-1-YL)OXY)-, (2R)-
Systematic Name English
R-DOTAP
Common Name English
Code System Code Type Description
FDA UNII
XER76TF9RN
Created by admin on Sat Dec 16 16:05:17 GMT 2023 , Edited by admin on Sat Dec 16 16:05:17 GMT 2023
PRIMARY
PUBCHEM
11629024
Created by admin on Sat Dec 16 16:05:17 GMT 2023 , Edited by admin on Sat Dec 16 16:05:17 GMT 2023
PRIMARY
SMS_ID
300000039528
Created by admin on Sat Dec 16 16:05:17 GMT 2023 , Edited by admin on Sat Dec 16 16:05:17 GMT 2023
PRIMARY
CAS
328250-29-9
Created by admin on Sat Dec 16 16:05:17 GMT 2023 , Edited by admin on Sat Dec 16 16:05:17 GMT 2023
PRIMARY