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Details

Stereochemistry MIXED
Molecular Formula C38H49N3O5
Molecular Weight 627.8128
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEMOTRIZINOL

SMILES

CCCCC(CC)COC1=CC=C(C(O)=C1)C2=NC(=NC(=N2)C3=C(O)C=C(OCC(CC)CCCC)C=C3)C4=CC=C(OC)C=C4

InChI

InChIKey=XVAMCHGMPYWHNL-UHFFFAOYSA-N
InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C38H49N3O5
Molecular Weight 627.8128
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including: https://en.wikipedia.org/wiki/Bemotrizinol

Bemotrizinol (INN/USAN, INCI bis-ethylhexyloxyphenol methoxyphenyl triazine) is an oil-soluble organic compound that is added to sunscreens to absorb UV rays. It is marketed as Tinosorb S by BASF and as Escalol S by Ashland Inc. Bemotrizinol is a broad-spectrum UV absorber, absorbing UVB as well as UVA rays. It has two absorption peaks at 310 and 340 nm. It is highly photostable. Even after 50 MEDs (minimal erythemal doses) 98.4% remains intact. It helps prevent the photodegradation of other sunscreen actives like avobenzone. Furthermore, its presense can at least partially protect less photostable UV blockers (e.g. UVA-blocker avobenzone) from degradation. It is approved in Europe and Australia but not in the USA. Unlike some other organic sunscreen agents, bemotrizinol has not been shown to have hormone-like (estrogenic) effects in cell cultures. Bemotrizinol appears to be relatively non-toxic and rarely causes skin irritation. However, as with many synthetic chemicals, it is unclear whether bemotrizinol may produce low-level skin damage and/or systemic effects with long-term use.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Tinosorb S

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Validation of HPLC method for quantitative determination of Tinosorb S and three other sunscreens in a high protection cosmetic product.
2008 Oct
Patents

Patents

Sample Use Guides

Unknown
Route of Administration: Topical
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:03:06 UTC 2023
Edited
by admin
on Fri Dec 15 16:03:06 UTC 2023
Record UNII
PWZ1720CBH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEMOTRIZINOL
INN   MART.   MI   USAN   USP-RS  
INN   USAN  
Official Name English
BIS-ETHYLHEXYLOXYPHENOL METHOXYPHENYL TRIAZINE
INCI  
INCI  
Official Name English
TINOSORB S
Brand Name English
bemotrizinol [INN]
Common Name English
Bemotrizinol [WHO-DD]
Common Name English
BIS-ETHYLHEXYLOXYPHENOL METHOXYPHENYL TRIAZINE [INCI]
Common Name English
2,2'-(6-(4-METHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIYL)BIS(5-((2-ETHYLHEXYL)OXY)PHENOL)
Systematic Name English
FAT-70884
Code English
BEMOTRIZINOL [USP-RS]
Common Name English
BEMT
Code English
FAT 70'884
Code English
BEMOTRIZINOL [USAN]
Common Name English
BEMOTRIZINOL [MI]
Common Name English
BEMOTRIZINOL [MART.]
Common Name English
NSC-759870
Code English
Classification Tree Code System Code
NCI_THESAURUS C851
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C74398
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID40896984
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
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MERCK INDEX
m2300
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL2104956
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
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EVMPD
SUB32134
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
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FDA UNII
PWZ1720CBH
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
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WIKIPEDIA
BEMOTRIZINOL
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
RS_ITEM_NUM
1048572
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
USAN
QQ-43
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
DRUG CENTRAL
3014
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
PUBCHEM
135487856
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
CAS
187393-00-6
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
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DAILYMED
PWZ1720CBH
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
RXCUI
1306115
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY RxNorm
NSC
759870
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
INN
8585
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
DRUG BANK
DB11206
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
SMS_ID
100000124344
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY