Product Code
F987251
CAS
1797415-74-7
Details
Chemical Properties
Hazards
Transport
Product Code
F987251
CAS
1797415-74-7
CAS Number
1797415-74-7
Iupac
12-[3-({3-[3,6-bis(dimethylamino)-10λ⁴-xanthen-10-ylium-9-yl]-4-carboxylatophenyl}formamido)-N-(2-{[2-(2-{2-[2-(5-{2-oxo-hexahydro-1H-thieno[2,3-d]imidazol-5-yl}pentanamido)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)propanamido]-1-(diazyn-1-ium-1-yl)-4,7,10-trioxa-1-azadodecan-1-ide; 12-[3-({4-[3,6-bis(dimethylamino)-10λ⁴-xanthen-10-ylium-9-yl]-3-carboxylatophenyl}formamido)-N-(2-{[2-(2-{2-[2-(5-{2-oxo-hexahydro-1H-thieno[2,3-d]imidazol-5-yl}pentanamido)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)propanamido]-1-(diazyn-1-ium-1-yl)-4,7,10-trioxa-1-azadodecan-1-ide
Canonical Smiles
CN(C)C1=CC2=[O+]C3=CC(=CC=C3C(C3=CC=C(C=C3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCC[N-][N+]#N)CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)=C2C=C1)N(C)C.CN(C)C1=CC2=[O+]C3=CC(=CC=C3C(C3=CC(=CC=C3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCC[N-][N+]#N)CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)=C2C=C1)N(C)C
InChI
InChI=1S/2C57H79N11O14S/c1-66(2)40-10-13-44-48(36-40)82-49-37-41(67(3)4)11-14-45(49)53(44)46-35-39(9-12-43(46)56(73)74)54(72)61-17-15-52(71)68(22-26-79-30-34-81-33-29-78-25-20-62-65-58)21-16-51(70)60-19-24-77-28-32-80-31-27-76-23-18-59-50(69)8-6-5-7-42-38-47-55(83-42)64-57(75)63-47;1-66(2)40-10-13-44-48(36-40)82-49-37-41(67(3)4)11-14-45(49)53(44)43-12-9-39(35-46(43)56(73)74)54(72)61-17-15-52(71)68(22-26-79-30-34-81-33-29-78-25-20-62-65-58)21-16-51(70)60-19-24-77-28-32-80-31-27-76-23-18-59-50(69)8-6-5-7-42-38-47-55(83-42)64-57(75)63-47/h2*9-14,35-37,42,47,55H,5-8,15-34,38H2,1-4H3,(H5-,59,60,61,63,64,69,70,72,73,74,75)
InChI Key
OLNZJSRKGRJBHG-UHFFFAOYSA-N
UNSPSC Code
12352100
SKU
F987251
Molecular Weight
2348.76
Asymmetric Atoms
6
Logp
1.57152580853
H Bond Acceptors
18
H Bond Donors
5
Fsp3
0.561403508772
SDS Documents
Pictograms
GHS07: Harmful/Irritant
Signal Word
Warning
Hazard Statements
- H302 – Harmful if swallowed.
- H315 – Causes skin irritation.
- H319 – Causes serious eye irritation.
- H335 – May cause respiratory irritation.
Precautionary Phrases
- P101 – If medical advice is needed, have product container or label at hand.
- P260 – Do not breathe dust/fume/gas/mist/vapours/spray.
- P264 – Wash hands thoroughly after handling.
- P270 – Do not eat, drink or smoke when using this product.
- P271 – Use only outdoors or in a well-ventilated area.
- P280 – Wear protective gloves/protective clothing and eye/face protection.
- P301+P310 – IF SWALLOWED: Immediately call a POISON CENTER/doctor.
- P301+P330+P331 – IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
- P303+P361+P353 – IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.
- P304+P340 – IF INHALED: Remove person to fresh air and keep comfortable for breathing.
- P305+P351+P338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321 – Specific treatment (see Section 4 on this SDS).
- P362+P364 – Take off contaminated clothing and wash it before reuse.
- P403+P233 – Store in a well-ventilated place. Keep container tightly closed.
- P405 – Store locked up.
- P501 – Dispose of contents/container to hazardous waste disposal.
Shipping Name
Non Hazardous For Transport
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At the University of Manchester, we trust Fluorochem’s consistent quality, swift deliveries, and great customer service. Their pricing remains highly competitive without compromising compliance standards.
Senior Procurement Officer
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At the University of Manchester, we trust Fluorochem’s consistent quality, swift deliveries, and great customer service. Their pricing remains highly competitive without compromising compliance standards.
Senior Procurement Officer