F0614-0079

Iupac Name：(2R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,
5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]
amino]-5-amino-5-oxopentanoyl]amino]-6-(octadecanoylamino)hexanoic acid

CAS No.: 78113-36-7

Molecular Weight：887.11182

Modify Date.: 2022-02-11 17:45

Request For Quotation

1. Names and Identifiers

1.1 Name: F0614-0079
1.2 Synonyms: 4-chloro-n-(4-methyl-5-oxo-5h-chromeno[4,3-b]pyridin-2-yl)-3-nitrobenzamide 4-chloro-n-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-3-nitrobenzamide AB00669922-01 AC1N5QMI AKOS024587682 MCULE-5679790768 MOLPORT-003-034-050 ZINC4108207

1.3 CAS No.: 78113-36-7

1.4 CID: 6917906

1.5 Molecular Formula: C₁₅H₂₁N₃O₄S (isomer)

1.6 Inchi: InChI=1S/C43H78N6O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34(52)45-26-21-20-22-32(42(58)59)48-35(53)25-24-31(39(44)55)49-40(56)28(2)46-41(57)29(3)61-38-36(47-30(4)51)43(60)62-33(27-50)37(38)54/h28-29,31-33,36-38,43,50,54,60H,5-27H2,1-4H3,(H2,44,55)(H,45,52)(H,46,57)(H,47,51)(H,48,53)(H,49,56)(H,58,59)/t28-,29+,31+,32-,33+,36+,37+,38+,43?/m0/s1

1.7 InChkey: FKHUGQZRBPETJR-FZKCHLSLSA-N

1.8 Canonical Smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C

1.9 Isomers Smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O

2. Properties

3.1 Melting point: 176-178 °C

3.1 Refractive index: 1.544

3.1 Precise Quality: 886.56300

3.1 PSA: 305.04000

3.1 logP: 4.36240

3. Safety and Handling

4.1 Safety Statements: safetyDesc

4.1 WGK Germany: 3

4.1 RTECS: OL5545000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...