11-[2-({6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}carbamoyl)ethyl]-2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-1λ⁵,3-diaza-2-boratricyclo[7.3.0.0³,⁷]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

Compound number:
MolPort-039-101-315
CAS number: 217190-15-3
IUPAC:
11-[2-({6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}carbamoyl)ethyl]-2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-1λ⁵,3-diaza-2-boratricyclo[7.3.0.0³,⁷]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC traditional:
bodipy tmr-X
SMILES:
COc1ccc(cc1)-c1ccc2C=C3C(C)=C(CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C(C)=[N+]3[B-](F)(F)n12 |c:40,t:13,16|
InChI key:
GRDQURHVJJVDRY-UHFFFAOYSA-N
Molecular formula:
C31H35BF2N4O6
Molecular weight: 608.45
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >95%
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5 mg October 1, 2019 236.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-101-315
CAS number: 217190-15-3

Names, Synonyms and 3rd Party Identifiers
BDY TMR-X, SE

InChI
InChI: 1S/C31H35BF2N4O6/c1-20-25(13-15-28(39)35-18-6-4-5-7-31(42)44-38-29(40)16-17-30(38)41)21(2)36-27(20)19-23-10-14-26(37(23)32(36,33)34)22-8-11-24(43-3)12-9-22/h8-12,14,19H,4-7,13,15-18H2,1-3H3,(H,35,39)
InChI key: GRDQURHVJJVDRY-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C31H35BF2N4O6
Molecular weight: 608.45

Other

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2019 MolPort, v3.17, release date 23-09-2019 12:00 (+0200). All rights reserved.
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