ECAMSULE DITRIETHANOLAMINE

Details

Stereochemistry	MIXED
Molecular Formula	C28H34O8S2.2C6H15NO3
Molecular Weight	861.071
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCCN(CCO)CCO.OCCN(CCO)CCO.CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)\C2=C\C3=CC=C(C=C3)\C=C4/C5CCC(CS(O)(=O)=O)(C4=O)C5(C)C

InChI

InChIKey=BNCJQBCYKLERPY-HPKCLRQXSA-N

InChI=1S/C28H34O8S2.2C6H15NO3/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36;2*8-4-1-7(2-5-9)3-6-10/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36);2*8-10H,1-6H2/b19-13+,20-14+;;

HIDE SMILES / InChI

Molecular Formula	C28H34O8S2
Molecular Weight	562.695
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Molecular Formula	C6H15NO3
Molecular Weight	149.1882
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 `Mon Mar 31 21:23:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:23:45 GMT 2025`
Record UNII	078Q44I6CD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECAMSULE DITRIETHANOLAMINE

Common Name

English

ECAMSULE TRIETHANOLAMINE

Preferred Name

English

ECAMSULE TRIETHANOLAMINE [USP IMPURITY]

Common Name

English

ECAMSULE TRIETHANOLAMINE [USP-RS]

Common Name

English

ETHANOL, 2,2',2''-NITRILOTRIS-, 3,3'-(1,4-PHENYLENEDIMETHYLIDYNE)BIS(7,7-DIMETHYL-2-OXOBICYCLO(2.2.1)HEPTANE-1-METHANESULFONATE) (2:1) (SALT)

Common Name

English

BICYCLO(2.2.1)HEPTANE-1-METHANESULFONIC ACID, 3,3'-(1,4-PHENYLENEDIMETHYLIDYNE)BIS(7,7-DIMETHYL-2-OXO-, COMPD. WITH 2,2',2''-NITRILOTRIS(ETHANOL) (1:2)

Common Name

English

(±)-(3E,3E)-3,3-(P-PHENYLENEDIMETHYLIDYNE)BIS(2-OXO-10-BORNANESULFONIC ACID) DITRIETHANOLAMINE

Common Name

English

Code System Code Type Description

CAS

92841-53-7