(R)-N,N,N-Trimethyl-2,3-bis(oleoyloxy)propan-1-aminium chloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H80NO4.Cl
Molecular Weight	698.542
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of (R)-N,N,N-Trimethyl-2,3-bis(oleoyloxy)propan-1-aminium chloride

Structure Search

SMILES

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

InChI

InChIKey=KSXTUUUQYQYKCR-HEXDFCBFSA-M

InChI=1S/C42H80NO4.ClH/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;1H/q+1;/p-1/b22-20-,23-21-;/t40-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C42H80NO4
Molecular Weight	663.0889
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	2
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:55:31 GMT 2023` Edited by `admin` on `Sat Dec 16 10:55:31 GMT 2023`
Record UNII	W8RN9Z2473
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-N,N,N-Trimethyl-2,3-bis(oleoyloxy)propan-1-aminium chloride

Systematic Name

English

DOTAP CHLORIDE, (R)-

Common Name

English

(2R)-DOTAP CHLORIDE

Common Name

English

1-PROPANAMINIUM, N,N,N-TRIMETHYL-2,3-BIS(((9Z)-1-OXO-9-OCTADECEN-1-YL)OXY)-, CHLORIDE (1:1), (2R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

W8RN9Z2473

Created by admin on Sat Dec 16 10:55:31 GMT 2023 , Edited by admin on Sat Dec 16 10:55:31 GMT 2023

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PUBCHEM

11629023

Created by admin on Sat Dec 16 10:55:31 GMT 2023 , Edited by admin on Sat Dec 16 10:55:31 GMT 2023

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CAS

328250-28-8

Created by admin on Sat Dec 16 10:55:31 GMT 2023 , Edited by admin on Sat Dec 16 10:55:31 GMT 2023

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