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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24O2
Molecular Weight 284.3927
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOLDIONE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=LUJVUUWNAPIQQI-QAGGRKNESA-N
InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

HIDE SMILES / InChI
Molecular Formula C19H24O2
Molecular Weight 284.3927
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:58:38 UTC 2023
Edited
by admin
on Fri Dec 15 17:58:38 UTC 2023
Record UNII
2166Q8568W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOLDIONE
Common Name English
ANDROSTADIENEDIONE
Systematic Name English
1-DEHYDROANDROSTENEDIONE
Common Name English
ANDROSTA-1,4-DIEN-3,17-DIONE
Systematic Name English
EXEMESTANE RELATED COMPOUND C CIII
USP-RS  
Common Name English
TESTOSTERONE IMPURITY G [EP IMPURITY]
Common Name English
.DELTA.1,4-ANDROSTADIENE-3,17-DIONE
Common Name English
(+)-ANDROSTA-1,4-DIENE-3,17-DIONE
Systematic Name English
EXEMESTANE IMPURITY D [EP IMPURITY]
Common Name English
Androsta-1,4-diene-3,17-dione
Systematic Name English
J38.935H
Code English
1,4-ANDROSTADIENE-3,17-DIONE
Systematic Name English
NSC-49080
Code English
ANDROSTANE-1,4-DIENE-3,17-DIONE
Systematic Name English
EXEMESTANE RELATED COMPOUND C [USP-RS]
Common Name English
Classification Tree Code System Code
DEA NO. 4000
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
212-977-2
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
EVMPD
SUB194899
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
WIKIPEDIA
BOLDIONE
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
RS_ITEM_NUM
1269083
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID00862463
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
NSC
49080
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
PUBCHEM
13472
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
SMS_ID
100000181312
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
MESH
C006573
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
FDA UNII
2166Q8568W
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
CAS
897-06-3
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
CHEBI
40799
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
DRUG BANK
DB07373
Created by admin on Fri Dec 15 17:58:38 UTC 2023 , Edited by admin on Fri Dec 15 17:58:38 UTC 2023
PRIMARY
Related Record Type Details
Structure of TESTOSTERONE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of EXEMESTANE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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