Substances (GSRS)

5,5'-DI-TERT-BUTYL-2,2'-DIHYDROXY-3-HYDROXYMETHYL DIBENZYL ETHER

Also: BENZENEMETHANOL, 5-(1,1-DIMETHYLETHYL)-3-(((5-(1,1-DIMETHYLETHYL)-2-HYDROXYPHENYL)METHOXY)METHYL)-2-HYDROXY-

chemicalUNII UQR8620876

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

b2c21e29-4799-45e3-a0f6-420ce74f6c2c

Version

UNII

UQR8620876

Codes

Uuid
820a9ed9-1cfe-49ed-9cba-07e4731e847b
Code
316355-46-1
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=316355-46-1
Code system
CAS
References
b1bbd01a-d2a5-4266-82f8-335f77578f11, 12b8cdab-6d54-4c1e-85d6-c87ff0e6617c
Uuid
5de0b604-3dc7-4789-8fd6-925155dadb49
Code
C417689
Type
PRIMARY
Url
http://www.ncbi.nlm.nih.gov/mesh/67417689
Code system
MESH
References
b1bbd01a-d2a5-4266-82f8-335f77578f11
Uuid
70057358-1e8a-425f-8f48-d6730b429133
Code
56636919
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/56636919
Code system
PUBCHEM
References
b1bbd01a-d2a5-4266-82f8-335f77578f11
Uuid
16a17049-a896-5b3c-299f-35c6542a38f4
Code
DTXSID20185520
Type
PRIMARY
Url
https://comptox.epa.gov/dashboard/chemical/details/DTXSID20185520
Code system
EPA CompTox
References
7ed014f8-f8ce-e91a-60b7-554e20c627c6
Uuid
fa660e68-ce70-4f92-bd24-fa0b11a786aa
Code
UQR8620876
Type
PRIMARY
Code system
FDA UNII

Names

Uuid
b8fc0c5c-dd3c-469b-9619-327a5780e8d3
Name
5,5'-DI-TERT-BUTYL-2,2'-DIHYDROXY-3-HYDROXYMETHYL DIBENZYL ETHER
StdName
5,5'-DI-TERT-BUTYL-2,2'-DIHYDROXY-3-HYDROXYMETHYL DIBENZYL ETHER
Type
cn
Preferred
false
Display name
true
Languages
en
References
e9e466fa-a67c-40c0-941c-5a08ebed34fc, 2993ef5f-43d8-462a-bb64-e00b8005004d
Uuid
ccfc9941-7971-4cf5-944b-c3cdd0c41ea8
Name
BENZENEMETHANOL, 5-(1,1-DIMETHYLETHYL)-3-(((5-(1,1-DIMETHYLETHYL)-2-HYDROXYPHENYL)METHOXY)METHYL)-2-HYDROXY-
StdName
BENZENEMETHANOL, 5-(1,1-DIMETHYLETHYL)-3-(((5-(1,1-DIMETHYLETHYL)-2-HYDROXYPHENYL)METHOXY)METHYL)-2-HYDROXY-
Type
sys
Preferred
false
Display name
false
Languages
en
References
eb29d47e-28d3-42f0-8419-5b2153867dc6, 2993ef5f-43d8-462a-bb64-e00b8005004d

References

Uuid
e9e466fa-a67c-40c0-941c-5a08ebed34fc
Citation
http://onlinelibrary.wiley.com/doi/10.1034/j.1600-0536.2000.043001020.x/pdf
Url
http://onlinelibrary.wiley.com/doi/10.1034/j.1600-0536.2000.043001020.x/pdf
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
Uuid
2993ef5f-43d8-462a-bb64-e00b8005004d
Citation
WEB PAGE
Doc type
WEB PAGE
Public domain
true
Tags
NOMEN
Uuid
eb29d47e-28d3-42f0-8419-5b2153867dc6
Citation
STN
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
b1bbd01a-d2a5-4266-82f8-335f77578f11
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493391384000
Tags
NOMEN
Uuid
d87f25f8-e1e3-4ac2-8b65-6186c86641c0
Citation
SRS import [UQR8620876]
Url
http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=UQR8620876
Doc type
SRS
Public domain
true
Document date
1493391384000
Tags
NOMEN
Uuid
7ed014f8-f8ce-e91a-60b7-554e20c627c6
Citation
WEBSITE
Url
https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=316355-46-1
Doc type
WEBSITE
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
12b8cdab-6d54-4c1e-85d6-c87ff0e6617c
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true

Moieties

Uuid
12e2ad4a-ec69-485b-8222-8016aae4c7aa
ID
12e2ad4a-ec69-485b-8222-8016aae4c7aa
Smiles
CC(C)(C)c1ccc(c(c1)COCc2cc(cc(CO)c2O)C(C)(C)C)O
Formula
C23H32O4
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
372.4986
Optical activity
NONE
Stereo centers
0
Molfile
Marvin 01132101112D 27 28 0 0 0 0 999 V2000 -2.0742 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -4.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -3.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6055 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 -3.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -4.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 -2.2041 0.0000 C 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 2 4 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 5 27 2 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 10 8 2 0 0 0 0 10 11 1 0 0 0 0 27 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 21 14 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
b32b7244-6872-4c85-8003-4d9e604365a3

Structure

ID: ffc47e55-4a33-4332-9e3e-f73fe75d726c
Smiles: CC(C)(C)c1ccc(c(c1)COCc2cc(cc(CO)c2O)C(C)(C)C)O
Formula: C23H32O4
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 372.4986
Optical activity: NONE
Stereo centers: 0
Molfile: Marvin 01132113142D 27 28 0 0 0 0 999 V2000 -2.0742 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -4.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -3.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6055 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 -3.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -4.2665 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 2 4 1 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 8 9 1 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 5 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 15 2 0 0 0 0 M END
References: e9e466fa-a67c-40c0-941c-5a08ebed34fc, d87f25f8-e1e3-4ac2-8b65-6186c86641c0

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.