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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H29NO2
Molecular Weight 303.4391
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMANDARONE

SMILES

C[C@@]12CC(=O)C[C@H]1[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC2

InChI

InChIKey=XWTQFFNBWQHSFL-ZZOJTZHCSA-N
InChI=1S/C19H29NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11,13-17,20H,3-10H2,1-2H3/t11-,13-,14+,15+,16+,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H29NO2
Molecular Weight 303.4391
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:06:02 GMT 2025
Edited
by admin
on Mon Mar 31 22:06:02 GMT 2025
Record UNII
L7Q20Q6G3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAMANDARINE SAMANDARONE [MI]
Preferred Name English
SAMANDARONE
MI  
Common Name English
2,5-EPOXYCYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-9(1H)-ONE, HEXADECAHYDRO-5A,7A-DIMETHYL-, (2S,5R,5AS,5BS,7AR,10AS,10BS,12AR)-
Systematic Name English
SAMANDARON
Common Name English
3-AZA-A-HOMOANDROSTAN-16-ONE, 1,4-EPOXY-, (1.ALPHA.,4.ALPHA.,5.BETA.)-
Systematic Name English
2,5-EPOXYCYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-9(1H)-ONE, HEXADECAHYDRO-5A,7A-DIMETHYL-, (2S-(2.ALPHA.,5.ALPHA.,5A.BETA.,5B.ALPHA.,7A.BETA.,10A.ALPHA.,10B.BETA.,12A.BETA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
L7Q20Q6G3Z
Created by admin on Mon Mar 31 22:06:02 GMT 2025 , Edited by admin on Mon Mar 31 22:06:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID30963639
Created by admin on Mon Mar 31 22:06:02 GMT 2025 , Edited by admin on Mon Mar 31 22:06:02 GMT 2025
PRIMARY
PUBCHEM
12315228
Created by admin on Mon Mar 31 22:06:02 GMT 2025 , Edited by admin on Mon Mar 31 22:06:02 GMT 2025
PRIMARY
MERCK INDEX
m9753
Created by admin on Mon Mar 31 22:06:02 GMT 2025 , Edited by admin on Mon Mar 31 22:06:02 GMT 2025
PRIMARY
CAS
467-52-7
Created by admin on Mon Mar 31 22:06:02 GMT 2025 , Edited by admin on Mon Mar 31 22:06:02 GMT 2025
PRIMARY