Substances (GSRS)

21-HYDROXYEPLERENONE

Also: PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17,21-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-

chemicalUNII 87R014GSYH

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

be1832c8-54ba-4235-91bc-64a7914e355f

Version

UNII

87R014GSYH

Codes

Uuid
046162ec-41a0-4cf0-9983-082f61cf116a
Code
334678-67-0
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=334678-67-0
Code system
CAS
References
d92cf543-6a41-4640-9e0e-ac0c3c26b919, ff69b85e-91a3-457f-9cd3-1ea3f97baaae
Uuid
d53c00dd-feb7-459f-898b-78839e2e89ea
Code
91810647
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/91810647
Code system
PUBCHEM
References
d92cf543-6a41-4640-9e0e-ac0c3c26b919
Uuid
be51d27d-7f83-41a0-aa8f-4e4b5d69eee2
Code
87R014GSYH
Type
PRIMARY
Code system
FDA UNII

Names

Uuid
cbc4a84c-dc20-4d2e-81b0-788d0f86becd
Name
21-HYDROXYEPLERENONE
StdName
21-HYDROXYEPLERENONE
Type
cn
Preferred
false
Display name
true
Languages
en
References
8733221f-7d31-4655-8fcb-8b05f715195e, 63ca5c6d-11df-440d-be31-31b941b85e6a
Uuid
dafac11d-6ad1-48b4-a154-990ad40e4959
Name
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17,21-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
StdName
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17,21-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Type
sys
Preferred
false
Display name
false
Languages
en
References
8733221f-7d31-4655-8fcb-8b05f715195e, a61682cc-c806-402c-be23-a05e593cfd36

References

Uuid
63ca5c6d-11df-440d-be31-31b941b85e6a
Citation
FDA_SRS
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
Uuid
8733221f-7d31-4655-8fcb-8b05f715195e
Citation
STN (SCIFINDER)
Doc type
STN (SCIFINDER)
Public domain
true
Tags
NOMEN
Uuid
a61682cc-c806-402c-be23-a05e593cfd36
Citation
STN
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
d92cf543-6a41-4640-9e0e-ac0c3c26b919
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493392338000
Tags
NOMEN
Uuid
3381b76c-1464-40b9-8a67-5607c295b878
Citation
SRS import [87R014GSYH]
Url
http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=87R014GSYH
Doc type
SRS
Public domain
true
Document date
1493392338000
Tags
NOMEN
Uuid
ff69b85e-91a3-457f-9cd3-1ea3f97baaae
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true

Moieties

Uuid
bcf54820-645e-4af7-9b50-7f78acdc6ed1
ID
bcf54820-645e-4af7-9b50-7f78acdc6ed1
Smiles
C[C@@]12CCC(=O)C=C2C[C@H]([C@H]3C4CC[C@@]5(CC(C(=O)O5)O)[C@@]4(C)C[C@@H]6[C@@]31O6)C(=O)OC
Formula
C24H30O7
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
EPIMERIC
Defined stereo
7
Ez centers
0
Molecular weight
430.4917
Optical activity
UNSPECIFIED
Stereo centers
9
Molfile
Marvin 01132109462D 31 36 0 0 1 0 999 V2000 7.3608 -4.1601 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 8.0853 -3.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7982 -4.1804 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 8.5258 -3.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7866 -5.0093 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 9.5691 -5.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0589 -4.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5865 -3.9341 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 9.0967 -3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0 9.3681 -1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3689 -2.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0761 -2.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3719 -3.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -5.4092 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 8.0708 -6.2322 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 7.3492 -6.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6363 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 -6.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 -6.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -5.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 -4.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 -5.4034 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 7.3492 -5.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3579 -4.9861 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 6.6363 -4.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7837 -6.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4966 -6.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7751 -7.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -7.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 26 1 1 0 0 0 0 1 27 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 3 8 1 0 0 0 0 5 6 1 0 0 0 0 15 5 1 6 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 6 0 0 0 8 14 1 0 0 0 0 10 9 1 0 0 0 0 10 11 1 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 6 0 0 0 17 18 1 0 0 0 0 19 18 2 0 0 0 0 24 18 1 0 0 0 0 19 20 1 0 0 0 0 21 20 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 1 0 0 0 26 24 1 0 0 0 0 26 27 1 6 0 0 0 29 28 2 0 0 0 0 30 28 1 0 0 0 0 31 30 1 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
a4a73164-c59e-4231-88b6-10a8b8d21cc8

Structure

ID: 8bf44b55-6557-4de0-9afc-946bec6a4b47
Smiles: C[C@@]12CCC(=O)C=C2C[C@H]([C@@]3([H])[C@]4([H])CC[C@@]5(CC(C(=O)O5)O)[C@@]4(C)C[C@]6([H])[C@@]31O6)C(=O)OC
Formula: C24H30O7
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: EPIMERIC
Defined stereo: 8
Ez centers: 0
Molecular weight: 430.4917
Optical activity: UNSPECIFIED
Stereo centers: 9
Molfile: Marvin 01132107162D 34 39 0 0 1 0 999 V2000 7.3579 -4.9861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3608 -4.1601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6363 -4.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0853 -3.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7982 -4.1804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7866 -5.0093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0708 -5.4092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0708 -6.2322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7837 -6.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4966 -6.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7751 -7.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -7.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3492 -6.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6363 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 -5.4034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9350 -4.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -5.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 -6.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 -6.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3492 -5.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5691 -5.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0589 -4.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5865 -3.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3719 -3.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3689 -2.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0761 -2.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 -3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7837 -5.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5258 -3.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6479 -3.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3681 -1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 1 3 1 6 0 0 0 4 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 6 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 1 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 20 14 2 0 0 0 0 15 21 1 1 0 0 0 7 22 1 1 0 0 0 23 6 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 25 5 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 25 30 1 6 0 0 0 6 31 1 6 0 0 0 5 32 1 1 0 0 0 2 33 1 1 0 0 0 29 34 1 0 0 0 0 M END
References: 3381b76c-1464-40b9-8a67-5607c295b878, a61682cc-c806-402c-be23-a05e593cfd36

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.