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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H39NO5.ClH
Molecular Weight 470.042
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CASSAMINE HYDROCHLORIDE

SMILES

Cl.[H][C@]12CC\C([C@H](C)[C@]1([H])C(=O)C[C@@]3([H])[C@](C)(CCC[C@]23C)C(=O)OC)=C/C(=O)OCCN(C)C

InChI

InChIKey=OCRDACOTQOYSGP-PKBCFCONSA-N
InChI=1S/C25H39NO5.ClH/c1-16-17(14-21(28)31-13-12-26(4)5)8-9-18-22(16)19(27)15-20-24(18,2)10-7-11-25(20,3)23(29)30-6;/h14,16,18,20,22H,7-13,15H2,1-6H3;1H/b17-14+;/t16-,18-,20+,22-,24+,25-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C25H39NO5
Molecular Weight 433.5809
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:02:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:02:31 GMT 2023
Record UNII
D7P6W99R3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CASSAMINE HYDROCHLORIDE
MI  
Common Name English
CASSAMINE HYDROCHLORIDE [MI]
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, 7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,4A,8-TRIMETHYL-9-OXO-, METHYL ESTER, HYDROCHLORIDE, (1S-(1.ALPHA.,4A.ALPHA.,4B.BETA.,7E,8.BETA.,8A.ALPHA.,10A.BETA.))-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m106
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY Merck Index
PUBCHEM
90479567
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
CAS
25390-20-9
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
FDA UNII
D7P6W99R3N
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY