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55852-84-1

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Basic Information
CAS No.: 55852-84-1
Name: BACITRACIN
Molecular Structure:
Molecular Structure of 55852-84-1 (BACITRACIN)
Formula: C81H117N17O23S
Molecular Weight: 0
Synonyms: Kemitracin 10;Bacitracin methylenedisalicylate;Bacitracin, methylenebis(2-hydroxybenzoate) (salt);Bacitracin methylene disalicylate;Methylenebis(2-hydroxybenzoate)bacitracin;Caswell No. 066D;
EINECS: 215-786-2
Melting Point: 221-225 °C
Safety: 22-24/25
PSA: 683.45000
LogP: 6.45080
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    Bacitracin methylenedisalicylic acid

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    Bacitracin

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Bacitracin methylenedisalicylic acid, with the CAS registry number 55852-84-1, is also known as Bacitracin methylene disalicylate. Its EINECS number is 215-786-2. Its classification code is Drug / Therapeutic Agent. Its storage temperature is 2-8°C. You should not breathe dust. When using it, you must avoid contact with eyes. 

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C66H105N17O17S.C15H12O6/c1-9-35(6)52(70)65-81-48(32-101-65)62(96)76-43(26-34(4)5)58(92)74-42(22-23-50(85)86)57(91)83-53(36(7)10-2)63(97)75-40(20-15-16-24-67)55(89)73-41(21-17-25-68)56(90)82-54(37(8)11-3)64(98)79-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-71-33-72-39)60(94)78-46(30-51(87)88)61(95)80-47(66(99)100)29-49(69)84;16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67-68,70H2,1-8H3,(H2,69,84)(H,71,72)(H,73,89)(H,74,92)(H,75,97)(H,76,96)(H,77,93)(H,78,94)(H,79,98)(H,80,95)(H,82,90)(H,83,91)(H,85,86)(H,87,88)(H,99,100);1-8,16-17H,9H2/t35?,36-,37-,40-,41+,42+,43-,44+,45-,46+,47-,48?,52?,53-,54-;/m0./s1
(2)Smiles: CC[C@@H](C)[C@@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O.Oc1c(cccc1)C(=O)OCOC(=O)c1ccccc1O

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2gm/kg (2000mg/kg)   Antibiotics and Chemotherapy Vol. 4, Pg. 304, 1954.
rat LD50 oral > 10gm/kg (10000mg/kg)   Antibiotics and Chemotherapy Vol. 4, Pg. 304, 1954.