Cyn 154806 Trifluoroacetate Salt
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Cyn 154806 Trifluoroacetate Salt
Product Code | C2490-500UG |
---|---|
Unit of Measure | 1X500UG |
CAS Number | 183658-72-2 |
MDL NUMBER | MFCD11045909 |
EMPIRICAL FORMULA | C56H68N12O14S2 |
Molecular Weight | 1197.34 (free base basis) |
Synonyms | Cyanamid 154806 Trifluoroacetate Salt |
Brand | SIGMA-ALDRICH |
Properties
Property | Value |
---|---|
eCl@ss | 32160000 |
Shipped on ICE | STD |
UNSPSC Code | 12352200 |
ADRSuff | 1 |
CAS Number | 183658-72-2 |
Storage Temperature | -20C |
Flash Point | Not applicable |
GHS Categories | NH |
GHS Hazard Codes | NH |
GHS Hazard Statements | NH |
GHS Pictograms | - |
GHS Precaution Codes | - |
GHS Remarks | Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008. |
GHS Signal Words | - |
MDL Number | MFCD11045909 |
Molecular Formula | C56H68N12O14S2 |
Net Weight | 0.5 |
Synonyms | Cyanamid 154806 trifluoroacetate salt |
Tariff Number | 29349990900 |
MSDS Link | https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=DElanguage=ENproductNumber=C2490brand=SIGMA |
color | white |
Assay | >=98% (HPLC) |
form | lyophilized powder (solid) |
storage temp. | -20C |
Quality Level | 100 |
InChI key | FYVCFCQFOBEWIO-GVGJFGMUSA-N |
InChI | 1S/C56H68N12O14S2.C2HF3O2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57;3-2(4,5)1(6)7/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74);(H,6,7)/t30-,41+,42-,43+,44+,45-,46-,47+,48+;/m1./s1 |
SMILES string | OC(=O)C(F)(F)F.C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc5ccc(O)cc5)C(N)=O)NC(=O)[C@H](Cc6ccc(cc6)[N+]([O-])=O)NC(C)=O |
Description
Cyn 154806 Trifluoroacetate Salt