Substances (GSRS)

((8R,9S,13S,14S,16R,17R)-16,17-DIHYDROXY-13-METHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)…

Also: 16.ALPHA.-HYDROXYESTRADIOL 3-SULFATE, ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3-(HYDROGEN SULFATE), (16.ALPHA.,17.BETA.)-, ESTRIOL 3-SULFATE…

chemicalUNII LZ7JHK6R2A

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

8056fa0c-cd3a-4fb8-afe2-f9cca839519e

Version

UNII

LZ7JHK6R2A

Codes

Uuid
c4e4e2c5-c05f-45a3-83ab-ed7aaa2ad1b3
Code
481-95-8
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=481-95-8
Code system
CAS
References
7198c561-deef-41d7-ba68-a252e68d1349, 444fe604-8634-40a8-9810-b02d29ed486a
Uuid
403d5153-f38a-4ce8-acd1-be36d647d842
Code
66415
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/66415
Code system
PUBCHEM
References
7198c561-deef-41d7-ba68-a252e68d1349
Uuid
97c5ef59-ba3f-658b-47db-b3acaef88df4
Code
Estriol 3-sulfate
Type
PRIMARY
Url
https://en.wikipedia.org/wiki/Estriol_3-sulfate
Code system
WIKIPEDIA
References
f21d39d5-450e-70d0-9f41-daad761d7f3c
Uuid
0369c8f6-eabc-a5ff-92ca-3e7bd83bf204
Code
DTXSID50963999
Type
PRIMARY
Url
https://comptox.epa.gov/dashboard/chemical/details/DTXSID50963999
Code system
EPA CompTox
Uuid
077d5041-4636-46ab-83f8-76c2c45eeb8c
Code
LZ7JHK6R2A
Type
PRIMARY
Code system
FDA UNII

Relationships

Uuid
5d9bd498-faa8-4a55-8e0f-9d17cabbdf0f
Type
SALT/SOLVATE->PARENT
Amount
Uuid
9daf5470-70b3-4a37-9b76-6f8fba866bae
References
c0804c8b-ac20-483f-8221-1645cbdd929e
Related substance
Uuid
1cdc402e-390e-4f1a-8a2d-abb896e48f15
Refuuid
27bd9f2e-9014-4be8-aef0-6be44ec2aa9f
Name
ESTRIOL SODIUM 3-SULFATE
UNII
NL7KCD6LFU
Linking ID
NL7KCD6LFU
Ref pname
ESTRIOL SODIUM 3-SULFATE
Uuid
b8b9b2e4-498d-4f81-b922-7664bf60146e
Type
SALT/SOLVATE->PARENT
Amount
Uuid
c9063fba-5f7b-4f98-bf7f-64f49fe1579e
References
0b86312c-51ed-4419-9f23-bebf98d5dd52
Related substance
Uuid
6f758c59-1ddb-4324-ad63-983769bbf79e
Refuuid
0d783173-3e21-471c-a2f2-d3f9708ac225
Name
ESTRIOL 3-SULFATE POTASSIUM
UNII
9LMP5F8254
Linking ID
9LMP5F8254
Ref pname
ESTRIOL 3-SULFATE POTASSIUM

Names

Uuid
60a20275-fe10-4ab6-bf47-2740feb77681
Name
((8R,9S,13S,14S,16R,17R)-16,17-DIHYDROXY-13-METHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL)HYDROGENSULFATE
StdName
((8R,9S,13S,14S,16R,17R)-16,17-DIHYDROXY-13-METHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL)HYDROGENSULFATE
Type
sys
Preferred
false
Display name
false
Languages
en
References
084d3095-dfbe-45ec-9a7c-8b1b85d91f25
Uuid
d37af66f-777f-492e-ad0e-680b38be8934
Name
16.ALPHA.-HYDROXYESTRADIOL 3-SULFATE
StdName
16.ALPHA.-HYDROXYESTRADIOL 3-SULFATE
Type
sys
Preferred
false
Display name
false
Languages
en
References
084d3095-dfbe-45ec-9a7c-8b1b85d91f25, d2652019-68eb-4b55-9a06-1080741ee9d0
Uuid
094a5ab5-6f47-4940-9ede-a3a04cd8776f
Name
ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3-(HYDROGEN SULFATE), (16.ALPHA.,17.BETA.)-
StdName
ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3-(HYDROGEN SULFATE), (16.ALPHA.,17.BETA.)-
Type
cn
Preferred
false
Display name
false
Languages
en
References
084d3095-dfbe-45ec-9a7c-8b1b85d91f25, d2652019-68eb-4b55-9a06-1080741ee9d0
Uuid
f4d98765-4f99-4ffd-a199-581a011a7df8
Name
ESTRIOL 3-SULFATE
StdName
ESTRIOL 3-SULFATE
Type
cn
Preferred
false
Display name
true
Languages
en
References
084d3095-dfbe-45ec-9a7c-8b1b85d91f25, d2652019-68eb-4b55-9a06-1080741ee9d0
Uuid
a5c6e9a7-e5c4-409d-bf81-d6458c7093aa
Name
ESTRIOL, 3-(HYDROGEN SULFATE)
StdName
ESTRIOL, 3-(HYDROGEN SULFATE)
Type
cn
Preferred
false
Display name
false
Languages
en
References
dcc67341-36f5-462f-aadf-4d89b8b551df, 084d3095-dfbe-45ec-9a7c-8b1b85d91f25

References

Uuid
d2652019-68eb-4b55-9a06-1080741ee9d0
Citation
stn
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
Uuid
084d3095-dfbe-45ec-9a7c-8b1b85d91f25
Citation
STN (SCIFINDER)
Doc type
STN (SCIFINDER)
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
dcc67341-36f5-462f-aadf-4d89b8b551df
Citation
STN
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
7198c561-deef-41d7-ba68-a252e68d1349
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493393805000
Tags
NOMEN
Uuid
f21d39d5-450e-70d0-9f41-daad761d7f3c
Citation
WIKI
Url
https://en.wikipedia.org/wiki/Estriol_3-sulfate
Doc type
WIKI
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
444fe604-8634-40a8-9810-b02d29ed486a
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Uuid
c0804c8b-ac20-483f-8221-1645cbdd929e
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
0b86312c-51ed-4419-9f23-bebf98d5dd52
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE

Moieties

Uuid
c731d346-c588-4603-8ef3-16acb685d3b0
ID
c731d346-c588-4603-8ef3-16acb685d3b0
Smiles
C[C@@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]2C[C@H]([C@@H]1O)O)OS(=O)(=O)O
Formula
C18H24O6S
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ABSOLUTE
Defined stereo
6
Ez centers
0
Molecular weight
368.4463
Optical activity
UNSPECIFIED
Stereo centers
6
Molfile
Marvin 01132110182D 25 28 0 0 1 0 999 V2000 9.6072 -3.4191 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 10.4322 -3.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1223 -4.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3376 -3.8315 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 7.6232 -4.2441 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 7.6232 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 -5.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -5.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0506 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -5.0691 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 -4.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 -5.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 -4.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -3.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 -3.8315 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 6.9086 -3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6232 -2.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3376 -3.0065 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 8.4239 -2.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1223 -2.7516 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 9.3772 -1.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 1 3 1 0 0 0 0 1 24 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 22 4 1 0 0 0 0 5 6 1 6 0 0 0 5 19 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 8 18 2 0 0 0 0 9 10 2 0 0 0 0 11 10 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 1 0 0 0 24 22 1 0 0 0 0 24 25 1 1 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
f1bb75fe-d037-4d50-ae89-77ab95c0d973

Structure

ID: 64fd95bd-e037-4c3c-9af6-866a98092580
Smiles: C[C@@]12CC[C@]3([H])c4ccc(cc4CC[C@@]3([H])[C@]2([H])C[C@H]([C@@H]1O)O)OS(=O)(=O)O
Formula: C18H24O6S
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ABSOLUTE
Defined stereo: 6
Ez centers: 0
Molecular weight: 368.4463
Optical activity: UNSPECIFIED
Stereo centers: 6
Molfile: Marvin 01132105152D 28 31 0 0 1 0 999 V2000 8.3376 -3.0065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3376 -3.8315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6232 -4.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9086 -3.8315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1941 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -5.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -3.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0506 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -5.0691 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 -5.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 -4.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 -4.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 -5.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6232 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 -4.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 -3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6232 -2.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6232 -3.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1223 -4.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6072 -3.4191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1223 -2.7516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3772 -1.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4322 -3.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 -4.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 -2.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 17 3 1 0 0 0 0 4 18 1 6 0 0 0 19 4 1 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 3 21 1 1 0 0 0 22 2 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 24 25 1 1 0 0 0 23 26 1 6 0 0 0 2 27 1 6 0 0 0 1 28 1 1 0 0 0 M END
References: d2652019-68eb-4b55-9a06-1080741ee9d0, 084d3095-dfbe-45ec-9a7c-8b1b85d91f25

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.