U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H35NO4
Molecular Weight 437.5711
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEVONANTRADOL

SMILES

[H][C@@]12CC[C@@H](O)C[C@@]1([H])C3=C(N[C@H]2C)C=C(O[C@H](C)CCCC4=CC=CC=C4)C=C3OC(C)=O

InChI

InChIKey=FFVXQGMUHIJQAO-BFKQJKLPSA-N
InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LEVONANTRADOL
INN  
INN  
Official Name English
levonantradol [INN]
Common Name English
1,9-PHENANTHRIDINEDIOL, 5,6,6A,7,8,9,10,10A-OCTAHYDRO-6-METHYL-3-(1-METHYL-4-PHENYLBUTOXY)-, 1-ACETATE, (6S-(3(S*),6ALPHA,6AALPHA,9ALPHA,10ABETA))
Common Name English
(-)-(6S,6AR,9R,10AR)-5,6,6A,7,8,9,10,10A-OCTAHYDRO-6-METHYL-3-((R)-1-METHYL-4-PHENYLBUTOXY)-1,9-PHENANTHRIDINEDIOL 1-ACETATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C267
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
Code System Code Type Description
EVMPD
SUB08482MIG
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111116
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
SMS_ID
100000082280
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
PUBCHEM
5361881
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
NCI_THESAURUS
C1385
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
INN
4791
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
CAS
71048-87-8
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID80221271
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
WIKIPEDIA
LEVONANTRADOL
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
MESH
C025490
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY
FDA UNII
03S640ADSK
Created by admin on Fri Dec 15 16:00:12 UTC 2023 , Edited by admin on Fri Dec 15 16:00:12 UTC 2023
PRIMARY