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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H47NO6.ClH
Molecular Weight 542.148
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of COUMINGINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=UPIRBQTUKNVAGI-HVYOZLOQSA-N
InChI=1S/C29H47NO6.ClH/c1-18-19(15-24(32)35-14-13-30(7)8)9-10-20-26(18)21(31)16-22-28(4,5)23(11-12-29(20,22)6)36-25(33)17-27(2,3)34;/h15,18,20,22-23,26,34H,9-14,16-17H2,1-8H3;1H/b19-15+;/t18-,20-,22-,23-,26-,29+;/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 C29H47NO6
Molecular Weight 505.6866
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 10:00:06 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:06 GMT 2023
Record UNII
405KR8VC10
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COUMINGINE HYDROCHLORIDE
MI  
Common Name English
BUTANOIC ACID, 3-HYDROXY-3-METHYL-, 7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,1,4A,8-TETRAMETHYL-9-OXO-2-PHENANTHRENYL ESTER, HYDROCHLORIDE, (2S-(2.ALPHA.,4A.ALPHA.,4B.BETA.,7E,8.BETA.,8A.ALPHA.,10A.BETA.))-
Systematic Name English
3-HYDROXY-3-METHYLBUTANOIC ACID (2S,4AR,4BS,7E,8R,8AS,10AR)-7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,1,4A,8-TETRAMETHYL-9-OXO-2-PHENANTHRENYL ESTER, HYDROCHLORIDE
Systematic Name English
COUMINGINE HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
CAS
22149-23-1
Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023
PRIMARY
PUBCHEM
21116642
Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023
PRIMARY
FDA UNII
405KR8VC10
Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023
PRIMARY
MERCK INDEX
m3823
Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID20944795
Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023
PRIMARY