Name: BIOTIN 4-AMIDOBENZOIC ACID SODIUM SALT
SKU: 102418-74-6

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Basic Information

Molecular Structure:
CAS No.:	102418-74-6
Name:	BIOTIN 4-AMIDOBENZOIC ACID SODIUM SALT

Formula:	C₁₇H₂₁N₃O₄S.Na
Molecular Weight:	386.41
Synonyms:	Benzoicacid, 4-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-,monosodium salt, [3aS-(3aa,4b,6aa)]-;Benzoic acid,4-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-,monosodium salt (9CI);
Melting Point:	>300°C (dec.)
Safety:	22-24/25
PSA:	135.66000
LogP:	1.44500

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- China (Mainland)(10)
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Specification

This chemical is called Biotin 4-amidobenzoic acid sodium salt, and its systematic name is sodium 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate. With the molecular formula of C₁₇H₂₁N₃O₄S.Na, its molecular weight is 386.41. The CAS registry number of this chemical is 102418-74-6, and its product category is Biotin Derivatives. In addition, this chemical should be stored at the temperature of 2-8°C.

Other characteristics of the Biotin 4-amidobenzoic acid sodium salt can be summarised as followings: (1)#H bond acceptors: 7; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 109.29 Å².

Uses of this chemical: The Biotin 4-amidobenzoic acid sodium salt is often used as a fluorigenic substrate for the determination of Biotinidase activity.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Please avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCC(=O)Nc3ccc(C([O-])=O)cc3
2.InChI: InChI=1/C17H21N3O4S.Na/c21-14(18-11-7-5-10(6-8-11)16(22)23)4-2-1-3-13-15-12(9-25-13)19-17(24)20-15;/h5-8,12-13,15H,1-4,9H2,(H,18,21)(H,22,23)(H2,19,20,24);/q;+1/p-1/t12-,13-,15-;/m0./s1
3.InChIKey: AMXZKFYBAOWERX-ZDMOEFKBBI