Basic information
- CAS
216699-35-3- Standard SMILES
O=C([O-])c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1- InChIKey
UNGMOMJDNDFGJG-UHFFFAOYSA-N- Molecular formula
- C33H30N2O5
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.21547206
Overview
5-carboxy-X-rhodamine is an X-rhodamine compound having a carboxy substituent at the 5-position. It has a role as a fluorochrome. It derives from a hydride of a 2,3,6,7,12,13,16,17-octahydropyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium.
Names & identifiers
- Preferred name
- 5-carboxy-X-rhodamine
- IUPAC
- 3-carboxy-4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
- English name
- 5-Carboxy-X-rhodamine triethylamine salt, for fluorescence*
- Molecular formula
- C33H30N2O5
- Molecular weight
- 534.61
Names & synonyms
5-carboxy-X-rhodamine216699-35-3CHEBI:51638DTXSID701314908RefChem:102248DTXCID101744830683-410-85-ROX5(6)-Carboxy-X-rhodamine3-carboxy-4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoateMFCD28355897SCHEMBL592782
Show more names
5-ROX, CXR5-ROX, >97%5-ROX, 5-CXRSYNONYM: 5-ROX5-ROX, 10 mM in DMSO5-ROX Free Acid (Red)5-ROX [5-Carboxy-X-rhodaMine]5 ROX,Inhibitor,inhibit,5ROX,5-ROX5-Carboxy-X-rhodamine triethylamin salt5-ROX (5-Carboxy-X-Rhodamine) (FP-1271)
SCHEMBL19844002SCHEMBL29406231EX-A9032P5-ROX (5-Carboxy-X-Rhodamine)HY-D0784AKOS032953770CS-5041FC72889
Database identifiers
- CAS
216699-35-3- PubChem CID
- 4097103
- DTXSID
DTXSID701314908- ChEBI
CHEBI:51638- EC Number
- 683-410-8
- Nikkaji
- J3.530.974H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,200
Physicochemical properties
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- powder to crystal
- color
- Gray to Dark purple to Black
- InChIKey
- UNGMOMJDNDFGJG-UHFFFAOYSA-N
- SMILES
- C(C1C=C(C(=O)O)C=CC=1C1=C2C=C3CCCN4CCCC(=C34)C2=[O+]C2=C3CCCN4CCCC(=C34)C=C12)(=O)[O-]
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- HS Code
- 2934.99 · 2934.99.4400
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934.99.4400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Applications
DescriptionThe carboxylic acid of 5-ROX is used for oligonucleotide labeling and automated DNA sequencing applications. Often a dye of choice for fluorescence resonance energy transfer (FRET) and fluorescence quenching applications. Conjugates of this dye have longer-wavelength spectra than the spectra of Lisaamine™ rhodamine B conjugates, but somewhat shorter-wavelength spectra than those of Texas Red™ conjugates.
Uses5-ROX is the purified isomer of 5(6)-ROX. It is preferred for some complicated biological applications where reproducibility is really critical. The minor positional difference between 5-ROX and 6-ROX might significantly affect some biological properties
Uses5-ROX is a purified isomer of carboxy-X-rhodamine. 5-ROX is widely used for oligonucleotide labeling and automated DNA sequencing applications.
Upstream & downstream products
Downstream products
Suppliers88 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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北京欧凯纳斯生化科技有限公司010-62651721 18610486005 · [email protected]
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MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
长沙瀚辰生物科技有限公司18175992585 · [email protected]
上海沛诺生物技术有限公司021-58648778 18217200601;15861463695 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
ChemPep, Inc.+1 (888) 615-9178 / (561) 791-8787 · [email protected]
Creative Peptides[email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
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成都迪合永欣医药科技有限公司15928140810 13928288528 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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上海科泽永欣生物科技有限公司18017817217 13770021960 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
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郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Additional notes
DefinitionChEBI: An X-rhodamine triethylammonium salt having a carboxy substituent at the 5-position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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