CASSAIDINE OXALATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H41NO4.C2H2O4
Molecular Weight	497.6215
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(O)=O.[H][C@@]12[C@@H](O)C[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC\C(=C/C(=O)OCCN(C)C)[C@@H]2C

InChI

InChIKey=BCVPYSSZGIUIAT-KFPMJZLESA-N

InChI=1S/C24H41NO4.C2H2O4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4;3-1(4)2(5)6/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3;(H,3,4)(H,5,6)/b16-13+;/t15-,17-,18-,19-,20-,22-,24+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C24H41NO4
Molecular Weight	407.5866
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	C2H2O4
Molecular Weight	90.0349
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 09:58:30 GMT 2023` Edited by `admin` on `Sat Dec 16 09:58:30 GMT 2023`
Record UNII	8ZKI405CB5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CASSAIDINE OXALATE

Common Name

English

(2E)-2-((1R,4AS,4BR,7S,8AR,10S,10AS)-DODECAHYDRO-7,10-DIHYDROXY-1,4B,8,8-TETRAMETHYL-2(1H)-PHENANTHRENYLIDENE)ACETIC ACID 2-(DIMETHYLAMINO)ETHYL ESTER, OXALATE

Common Name

English

CASSAIDINE OXALATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

8ZKI405CB5

Created by admin on Sat Dec 16 09:58:30 GMT 2023 , Edited by admin on Sat Dec 16 09:58:30 GMT 2023

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MERCK INDEX

m3160

Created by admin on Sat Dec 16 09:58:30 GMT 2023 , Edited by admin on Sat Dec 16 09:58:30 GMT 2023

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Merck Index

PUBCHEM

76967588

Created by admin on Sat Dec 16 09:58:30 GMT 2023 , Edited by admin on Sat Dec 16 09:58:30 GMT 2023

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